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CAS 132634-27-6 4-CHLORO-8-METHOXY-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 132634-27-6

4-CHLORO-8-METHOXY-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132634-27-6
  • Purity/Analytical Methods: >99.0%
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132634-27-6 / methyl 4-chloro-8-methoxyquinoline-2-carboxylate

Standard CAS: 132634-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132634-27-6
Multi CAS
No
Molecular Formula
C12H10ClNO3
Molecular Weight
251.660000
Exact Mass
251.034921
SMILES
COC1=CC=CC2=C1N=C(C=C2Cl)C(=O)OC
InChI
InChI=1S/C12H10ClNO3/c1-16-10-5-3-4-7-8(13)6-9(12(15)17-2)14-11(7)10/h3-6H,1-2H3
InChIKey
PJTUWNXMLLXTKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.64
TPSA
48.42

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
3
Consensus LogP
2.68
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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