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CAS 137612-85-2 2-CHLORO-6-METHOXY-QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 137612-85-2

2-CHLORO-6-METHOXY-QUINOLINE-3-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS137612-85-2
  • Purity/Analytical Methods: >99.0%
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137612-85-2 / 2-chloro-6-methoxyquinoline-3-carboxylic acid

Standard CAS: 137612-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137612-85-2
Multi CAS
No
Molecular Formula
C11H8ClNO3
Molecular Weight
237.640000
Exact Mass
237.019271
SMILES
COC1=CC2=CC(=C(N=C2C=C1)Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO3/c1-16-7-2-3-9-6(4-7)5-8(11(14)15)10(12)13-9/h2-5H,1H3,(H,14,15)
InChIKey
ZPOJSCBYMLQIEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.26
TPSA
59.42

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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