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. 112270-06-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 112270-06-1
Chemical Structure| 112270-06-1
Structure of 112270-06-1 * 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 [ 112270-06-1 ]

Related Doc. of [ 112270-06-1 ]

Alternatived Products of [ 112270-06-1 ]
Product Citations

Product Details of [ 112270-06-1 ]

CAS No. :112270-06-1 MDL No. :MFCD09038111
Formula : C9H9ClO3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZTTKKVNUDLGBCI-UHFFFAOYSA-N
M.W : 200.62 Pubchem ID :14006092
Synonyms :

Calculated chemistry of [ 112270-06-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.56
TPSA : 46.53 ?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) : -5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 2.97
Log Po/w (WLOGP) : 2.22
Log Po/w (MLOGP) : 2.21
Log Po/w (SILICOS-IT) : 2.2
Consensus Log Po/w : 2.27

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.1
Solubility : 0.16 mg/ml ; 0.000797 mol/l
Class : Soluble
Log S (Ali) : -3.61
Solubility : 0.0492 mg/ml ; 0.000245 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.92
Solubility : 0.238 mg/ml ; 0.00119 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 112270-06-1 ]

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

Application In Synthesis of [ 112270-06-1 ]

* 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 [ 112270-06-1 ]

[ 112270-06-1 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 112270-03-8 ]
  • [ 112270-06-1 ]
  • 2
  • [ 112270-06-1 ]
  • [ 77-78-1 ]
  • [ 172217-12-8 ]
  • 3
  • [ 172217-11-7 ]
  • [ 112270-06-1 ]
  • 4
  • [ 112270-06-1 ]
  • [ 106-95-6 ]
  • [ 379230-44-1 ]
  • 5
  • [ 2148-56-3 ]
  • [ 112270-06-1 ]
  • 6
  • [ 112270-06-1 ]
  • [ 379230-43-0 ]
  • 7
  • [ 112270-06-1 ]
  • [ 379230-47-4 ]
  • 8
  • [ 112270-06-1 ]
  • [ 379230-46-3 ]
  • 9
  • [ 112270-06-1 ]
  • [ 412349-25-8 ]
  • 10
  • [ 112270-06-1 ]
  • [ 379230-45-2 ]
  • 11
  • [ 112270-06-1 ]
  • 4-(6-chlorobenzofuran-7-ylamino)-6-methoxy-7-(3-morpholinopropoxy)quinazoline [ No CAS ]
  • 12
  • [ 172217-16-2 ]
  • [ 112270-06-1 ]
  • 13
  • [ 112270-06-1 ]
  • [ 3260-89-7 ]
  • 14
  • [ 112270-06-1 ]
  • 2-Chloro-6-methoxy-benzoyl azide [ No CAS ]
  • 15
  • [ 112270-06-1 ]
  • [ 172217-13-9 ]
  • 16
  • [ 5807-14-7 ]
  • [ 112270-06-1 ]
  • [ 106-95-6 ]
  • [ 379230-44-1 ]
YieldReaction ConditionsOperation in experiment
In acetonitrile; Petroleum ether; Allyl bromide (5.5 ml) was added to a stirred mixture of <strong>[112270-06-1]ethyl 6-chloro-2-hydroxybenzoate</strong> (9.8 g), 1,5,7-triazabicyclo[4,4,0]dec-5-ene (10.4 g) and acetonitrile (250 ml) and the reaction mixture was stirred at ambient temperature for 20 hours. The mixture was evaporated and the residue was purified by column chromatography on silica using a 17:3 mixture of petroleum ether (b.p. 60-80C) and diethyl ether as eluent. There was thus obtained ethyl 2-allyloxy-6-chlorobenzoate (10.3 g); NMR Spectrum : (DMSOd6) 1.3 (t, 3H), 4.35 (q, 2H), 4.65 (d, 2H), 5.25 (d, 1H), 5.4 (d, 1H), 6.0 (m, 1H), 7.15 (m, 2H), 7.45 (t, 1H).
In acetonitrile; Petroleum ether; Allyl bromide (5.5 ml) was added to a stirred mixture of <strong>[112270-06-1]ethyl 6-chloro-2-hydroxybenzoate</strong> (9.8 g), 1,5,7-triazabicyclo[4,4,0]dec-5-ene (10.4 g) and acetonitrile (250 ml) and the reaction mixture was stirred at ambient temperature for 20 hours. The mixture was evaporated and the residue was purified by column chromatography on silica using a 17:3 mixture of petroleum ether (b.p. 60-80 C.) and diethyl ether as eluent. There was thus obtained ethyl 2-allyloxy-6-chlorobenzoate (10.3 g); NMR Spectrum: (DMSOd6) 1.3 (t, 3H), 4.35 (q, 2H), 4.65 (d, 2H), 5.25 (d, 1H), 5.4 (d, 1H), 6.0 (m, 1H), 7.15 (m, 2H), 7.45 (t, 1H).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 112270-06-1 ]

Aryls

Chemical Structure| 3260-89-7

[ 3260-89-7 ]

2-Chloro-6-methoxybenzoic acid

Similarity: 0.92

Chemical Structure| 4068-78-4

[ 4068-78-4 ]

Methyl 5-chloro-2-hydroxybenzoate

Similarity: 0.92

Chemical Structure| 247092-10-0

[ 247092-10-0 ]

Methyl 2-chloro-5-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 22717-55-1

[ 22717-55-1 ]

Methyl 4-chloro-2-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 56961-31-0

[ 56961-31-0 ]

2-Chloro-6-hydroxybenzoic acid

Similarity: 0.90

Chlorides

Chemical Structure| 3260-89-7

[ 3260-89-7 ]

2-Chloro-6-methoxybenzoic acid

Similarity: 0.92

Chemical Structure| 4068-78-4

[ 4068-78-4 ]

Methyl 5-chloro-2-hydroxybenzoate

Similarity: 0.92

Chemical Structure| 247092-10-0

[ 247092-10-0 ]

Methyl 2-chloro-5-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 22717-55-1

[ 22717-55-1 ]

Methyl 4-chloro-2-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 56961-31-0

[ 56961-31-0 ]

2-Chloro-6-hydroxybenzoic acid

Similarity: 0.90

Esters

Chemical Structure| 4068-78-4

[ 4068-78-4 ]

Methyl 5-chloro-2-hydroxybenzoate

Similarity: 0.92

Chemical Structure| 247092-10-0

[ 247092-10-0 ]

Methyl 2-chloro-5-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 22717-55-1

[ 22717-55-1 ]

Methyl 4-chloro-2-hydroxybenzoate

Similarity: 0.90

Chemical Structure| 52159-67-8

[ 52159-67-8 ]

Methyl 3-chloro-2-hydroxybenzoate

Similarity: 0.86

Chemical Structure| 1465327-51-8

[ 1465327-51-8 ]

Ethyl 3-chloro-4-formylbenzoate

Similarity: 0.85

; ;