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CAS 43071-47-2 2-(4-CHLORO-PHENYL)-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 43071-47-2

2-(4-CHLORO-PHENYL)-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS43071-47-2
  • Purity/Analytical Methods: >99.0%
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43071-47-2 / 2-(4-chlorophenyl)-3-methylquinoline-4-carboxylic acid

Standard CAS: 43071-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43071-47-2
Multi CAS
Yes
Molecular Formula
C17H12CLNO2
Molecular Weight
297.700000
Exact Mass
297.055656
InChI
InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-4-2-3-5-14(13)19-16(10)11-6-8-12(18)9-7-11/h2-9H,1H3,(H,20,21)
InChIKey
ZYTMJUPLERGXJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.89
TPSA
50.19

LogP / Solubility

WLOGP
4.56
MLOGP
4.03
XLogP3
4.4
Consensus LogP
4.33
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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