成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 198821-79-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 198821-79-3
Chemical Structure| 198821-79-3
Structure of 198821-79-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 198821-79-3 ]

Related Doc. of [ 198821-79-3 ]

Alternatived Products of [ 198821-79-3 ]
Product Citations

Product Details of [ 198821-79-3 ]

CAS No. :198821-79-3 MDL No. :MFCD03844645
Formula : C10H10N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :KYCMMXMEXWSPCV-UHFFFAOYSA-N
M.W : 190.20 Pubchem ID :15462732
Synonyms :

Calculated chemistry of [ 198821-79-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.1
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.84
TPSA : 61.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 1.29
Log Po/w (WLOGP) : 1.94
Log Po/w (MLOGP) : 0.16
Log Po/w (SILICOS-IT) : 1.67
Consensus Log Po/w : 1.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.28
Solubility : 0.995 mg/ml ; 0.00523 mol/l
Class : Soluble
Log S (Ali) : -2.18
Solubility : 1.27 mg/ml ; 0.00666 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.53
Solubility : 0.0565 mg/ml ; 0.000297 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.37

Safety of [ 198821-79-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 198821-79-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 198821-79-3 ]

[ 198821-79-3 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 939-57-1 ]
  • [ 198821-79-3 ]
  • <i>N</i>-(3-methoxy-4-oxazol-5-yl-phenyl)-3-<i>o</i>-tolyl-acrylamide [ No CAS ]
  • 2
  • [ 1204-06-4 ]
  • [ 198821-79-3 ]
  • 3-(1<i>H</i>-indol-3-yl)-<i>N</i>-(3-methoxy-4-oxazol-5-yl-phenyl)-acrylamide [ No CAS ]
  • 3
  • [ 4565-31-5 ]
  • [ 198821-79-3 ]
  • C16H12N2O4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol; General procedure: The mixture of the compound 15 (190.2 mg, 1.0 mmol) and 2-thiophenecarboxaldehyde (123.4 mg, 1.1 mol) in anhydrous ethanol (3.0 mL) was stirred over night at room temperature or reflux temperature. The corresponding imine was reduced with solid sodium borohydride (75.7 mg, 2.0 mmol) which was added slowly, the mixture was further stirred over night at room temperature. An additional ethanol (2.0 mL) was added to the reaction vessel after which 10percent hydrochloric acid aqueous solution was added to quench excess sodium borohydride. The acidic mixture was basified with 25percent aqueous ammonia solution. The desired product was extracted with dichloromethane (3 20 mL) and the solution was dried over sodium sulphate anhydrous. The solvent was removed under reduced pressure and the residue was purified by flash chromatography on silica gel, eluting with a gradient of 40-60percent ethyl acetate in petroleum ether to give the title compound 17a1 [164.9 mg, 57.6percent (from 15)] as a white solid, mp 100-101 °C.
  • 4
  • [ 4565-31-5 ]
  • [ 198821-79-3 ]
  • 5-[3-methoxy-4-(5-oxazolyl)phenyl-amino]methyl}thiophene-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
54.6% Dissolve 3-methoxy-4-(oxazol-5-yl) aniline (190.2 mg, 1 mmol) in absolute ethanol (3 ml), add in 5-formyl-2-thiophene-carboxylic acid (1.1 mmol), stir at room temperature until the starting material 3-methoxy-4-(oxazol-5-yl) aniline disappears. Add a reducing agent (e.g. NaBH4, 2 mmol) at 0-10° C., then warm at ambient temperature until the disappearance of the intermediate. Dissolve the mixture under heating with ethanol, filter, and evaporate part of the solvent, let stand the mixture to obtain a yellow solid product 7, yield: 54.6percent. 1H NMR (DMSO-d6, delta) 3.82 (s, 3H, -OCH3), 4.39 (br, 1H, -NH), 4.40 (s, 2H, -CH2-), 6.32 (d, J=8.5 Hz, 1H, 6-Ph), 6.39 (s, 1H, 2-Ph), 6.85 (d, J=3 Hz, 1H, 3-Th); 7.03 (d, J=3.5 Hz, 1H, 4-Th), 7.18 (s, 1H, 4-Ox), 7.37 (d, J=8.5 Hz, 1H, 5-Ph); 8.21 (s, 1H, 2-Ox).
  • 5
  • [ 20426-80-6 ]
  • [ 198821-79-3 ]
  • N-(3-methoxy-4-(oxazol-5-yl)phenyl)chromane-4-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
44% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 12h; To a stirred solution of 3-methoxy-4- (oxazol-5-yl) aniline (75 mg, 0.395 mmol) and 3, 4-dihydro-2H-l-benzopyran-4- carboxylic acid (105.3 mg, 0.592 mmol) in DMF (3 mL) were added DIPEA (0.15 mL) and HATU (226 mg, 0.592 mmol) at room temperature and the reaction was stirred for 12 h at rt. After completion of the reaction, the reaction mixture was purified by preparative HPLC to yield N-(3-methoxy-4- (oxazol-5-yl) phenyl) chromane-4-carboxamide (60.07 mg, 44%). Analytical HPLC Method A. Rt: 1.42 min; MS: 351.2 (M+H) .
44% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 16h; To a stirred solution of 3-methoxy-4-(oxazol-5-yl)aniline (75 mg, 0.395 mmol) and 3,4-dihydro-2H-1-benzopyran-4- carboxylic acid (105.3 mg, 0.592 mmol) in DMF (3 mL) were added DIPEA (0.15 mL) and HATU (226 mg, 0.592 mmol) at room temperature and the reaction was stirred for 12 h at room temperature. After completion of the reaction, the reaction mixture was purified by preparative HPLC to yield N-(3-methoxy-4-(oxazol-5-yl)phenyl)chromane-4-carboxamide (60.07 mg, 44%). Analytical HPLC Method A. Rt: 1.42 min; MS: 351.2 (M+H).
  • 6
  • [ 182570-26-9 ]
  • [ 198821-79-3 ]
  • 6-methoxy-N-(3-methoxy-4-(oxazol-5-yl)phenyl)chromane-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 12h; To a stirred solution of 3-methoxy-4- (oxazol-5-yl) aniline (75 mg, 0.395 mmol) and 6-methoxy-3, 4-dihydro-2H-l- benzopyran-3-carboxylic acid (123.1 mg, 0.592 mmol) in DMF (3 ioL) were added DIPEA (0.15 mL) and HATU (226 mg, 0.592 mmol) at room temperature and the reaction was stirred for 12 h at rt. After completion of the reaction, the reaction mixture was purified by preparative HPLC to yield 6-methoxy-N- (3-methoxy-4- (oxazol-5-yl) phenyl) chromane-3- carboxamide (72.3 mg, 48%). Analytical HPLC Method A. Rt: 1.55 min; MS: 381.2 (M+H) .
48% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 12h; To a stirred solution of 3-methoxy-4-(oxazol-5-yl)aniline (75 mg, 0.395 mmol) and 6-methoxy-3,4-dihydro-2H-1- benzopyran-3-carboxylic acid (123.1 mg, 0.592 mmol) in DMF (3 mL) were added DIPEA (0.15 mL) and HATU (226 mg, 0.592 mmol) at room temperature and the reaction was stirred for 12 h at room temperature. After completion of the reaction, the reaction mixture was purified by preparative HPLC to yield 6-methoxy-N-(3-methoxy-4- (oxazol-5-yl)phenyl)chromane-3-carboxamide (72.3 mg, 48%). Analytical HPLC Method A. Rt: 1.55 min; MS: 381.2 (M+H).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 198821-79-3 ]

Aryls

Chemical Structure| 1008-95-3

[ 1008-95-3 ]

4-(1,3-Oxazol-5-yl)aniline

Similarity: 0.92

Chemical Structure| 157837-31-5

[ 157837-31-5 ]

3-(5-Oxazolyl)aniline

Similarity: 0.92

Chemical Structure| 1006-68-4

[ 1006-68-4 ]

5-Phenyl-1,3-oxazole

Similarity: 0.84

Chemical Structure| 252928-82-8

[ 252928-82-8 ]

3-(5-Oxazolyl)benzoic Acid

Similarity: 0.74

Chemical Structure| 129053-70-9

[ 129053-70-9 ]

2-Bromo-5-phenyloxazole

Similarity: 0.73

Ethers

Chemical Structure| 113928-90-8

[ 113928-90-8 ]

(3-Amino-4-methoxyphenyl)methanol

Similarity: 0.70

Chemical Structure| 148459-54-5

[ 148459-54-5 ]

(4-Amino-3-methoxyphenyl)methanol

Similarity: 0.70

Chemical Structure| 1261566-52-2

[ 1261566-52-2 ]

(3-Amino-5-methoxyphenyl)methanol

Similarity: 0.69

Chemical Structure| 27492-84-8

[ 27492-84-8 ]

Methyl 4-amino-2-methoxybenzoate

Similarity: 0.69

Chemical Structure| 91251-42-2

[ 91251-42-2 ]

3-Isopropyl-4-methoxyaniline

Similarity: 0.69

Amines

Chemical Structure| 1008-95-3

[ 1008-95-3 ]

4-(1,3-Oxazol-5-yl)aniline

Similarity: 0.92

Chemical Structure| 157837-31-5

[ 157837-31-5 ]

3-(5-Oxazolyl)aniline

Similarity: 0.92

Chemical Structure| 177492-52-3

[ 177492-52-3 ]

Benzo[d]oxazol-6-amine

Similarity: 0.73

Chemical Structure| 50548-43-1

[ 50548-43-1 ]

4-Dibenzofuranamine

Similarity: 0.72

Chemical Structure| 13414-56-7

[ 13414-56-7 ]

2,3-Dihydrobenzofuran-7-amine

Similarity: 0.72

Related Parent Nucleus of
[ 198821-79-3 ]

Oxazoles

Chemical Structure| 1008-95-3

[ 1008-95-3 ]

4-(1,3-Oxazol-5-yl)aniline

Similarity: 0.92

Chemical Structure| 157837-31-5

[ 157837-31-5 ]

3-(5-Oxazolyl)aniline

Similarity: 0.92

Chemical Structure| 1006-68-4

[ 1006-68-4 ]

5-Phenyl-1,3-oxazole

Similarity: 0.84

Chemical Structure| 252928-82-8

[ 252928-82-8 ]

3-(5-Oxazolyl)benzoic Acid

Similarity: 0.74

Chemical Structure| 129053-70-9

[ 129053-70-9 ]

2-Bromo-5-phenyloxazole

Similarity: 0.73

; ;