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. 1687-53-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1687-53-2
Chemical Structure| 1687-53-2
Structure of 1687-53-2 * 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 [ 1687-53-2 ]

Related Doc. of [ 1687-53-2 ]

Alternatived Products of [ 1687-53-2 ]
Product Citations

Product Details of [ 1687-53-2 ]

CAS No. :1687-53-2 MDL No. :MFCD00010222
Formula : C7H9NO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :BLQFHJKRTDIZLX-UHFFFAOYSA-N
M.W : 139.15 Pubchem ID :74314
Synonyms :

Calculated chemistry of [ 1687-53-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.36
TPSA : 55.48 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.41
Log Po/w (XLOGP3) : 0.83
Log Po/w (WLOGP) : 0.99
Log Po/w (MLOGP) : 0.53
Log Po/w (SILICOS-IT) : 0.63
Consensus Log Po/w : 0.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.6
Solubility : 3.47 mg/ml ; 0.0249 mol/l
Class : Very soluble
Log S (Ali) : -1.58
Solubility : 3.68 mg/ml ; 0.0265 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.56
Solubility : 3.81 mg/ml ; 0.0274 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.12

Safety of [ 1687-53-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1687-53-2 ]

* 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 [ 1687-53-2 ]

[ 1687-53-2 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 1687-53-2 ]
  • [ 214476-78-5 ]
  • 4-(3-hydroxy-4-methoxy-phenylamino)-8-methoxy-quinoline-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
261.6 mg (89.0%) With pyridine hydrochloride; In 2-ethoxy-ethanol; EXAMPLE 279 4-(3-Hydroxy-4-methoxy-phenylamino)-8-methoxy-quinoline-3-carbonitrile Using an analogous procedure to that described in Example 274. A reaction mixture of 200.0 mg (0.92 mmol) of <strong>[214476-78-5]4-chloro-8-methoxy-3-quinolinecarbonitrile</strong>, 105.7 mg (0.92 mmol) of pyridine hydrochloride and 140.6 mg (1.0 mmol) of 5-amino-2-methoxy-phenol in 10 mL of 2-ethoxyethanol was heated at 100 C. for 2 hr. The work up gave 261.6 mg (89.0%) of the product as a deep yellow solid, m.p. 138-140 C. (dec.), mass spectrum (electrospray, m/e): M+H 321.9.
261.6 mg (89.0%) With pyridine hydrochloride; In 2-ethoxy-ethanol; EXAMPLE 279 4-(3-Hydroxy-4-methoxy-phenylamino)-8-methoxy-quinoline-3-carbonitrile Using an analogous procedure to that described in Example 274. A reaction mixture of 200.0 mg (0.92 mmol) of <strong>[214476-78-5]4-chloro-8-methoxy-3-quinolinecarbonitrile</strong>, 105.7 mg (0.92 mmol) of pyridine hydrochloride and 140.6 mg (1.0 mmol) of 5-amino-2-methoxyphenol in 10 mL of 2-ethoxyethanol was heated at 100 C. for 2 hr. The work up gave 261.6 mg (89.0%) of the product as a deep yellow solid, m.p. 138-140 C. (dec.), mass spectrum (electrospray, m/e): M+H 321.9.
261.6 mg (89.0%) With pyridine hydrochloride; In 2-ethoxy-ethanol; Example 279 4-(3-Hydroxy-4-methoxy-phenylamino)-8-methoxy-quinoline-3-carbonitrile Using an analogous procedure to that described in Example 274. A reaction mixture of 200.0 mg (0.92 mmol) of <strong>[214476-78-5]4-chloro-8-methoxy-3-quinolinecarbonitrile</strong>, 105.7 mg (0.92 mmol) of pyridine hydrochloride and 140.6 mg (1.0 mmol) of 5-amino-2-methoxy--phenol in 10 mL of 2-ethoxyethanol was heated at 100 C for 2 hr. The work up gave 261.6 mg (89.0 %) of the product as a deep yellow solid, m.p. 138-140C (dec.), mass spectrum (electrospray, m/e): M+H 321.9.
  • 3
  • [ 1687-53-2 ]
  • [ 17823-69-7 ]
  • [ 1055964-47-0 ]
YieldReaction ConditionsOperation in experiment
In 2-ethoxy-ethanol; for 0.5h;Heating / reflux; [0440] A solution of 3 -hydroxy -4-methoxyaniline (0.61 g, 4.4 mmol), 2-cyano-3,3- bis(methylthio)acrylamide (0.75 g, 4.0 mmol), and 8.0 ml of 2-ethoxyethanol is refluxed for 30 minutes and concentrated under vacuum. The residue is recrystallized from ethanol to provide the title compound as a white solid. Mp. 160-1640C, MS: m/e 280.2 (M+H)+1.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;