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CAS 1234818-35-9 4-Chloro-2-methyl-quinoline-8-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1234818-35-9

4-Chloro-2-methyl-quinoline-8-carboxylic acid methyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1234818-35-9
  • Purity/Analytical Methods: >99.0%
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1234818-35-9 / methyl 4-chloro-2-methylquinoline-8-carboxylate

Standard CAS: 1234818-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234818-35-9
Multi CAS
No
Molecular Formula
C12H10ClNO2
Molecular Weight
235.660000
Exact Mass
235.040006
SMILES
CC1=CC(=C2C=CC=C(C2=N1)C(=O)OC)Cl
InChI
InChI=1S/C12H10ClNO2/c1-7-6-10(13)8-4-3-5-9(11(8)14-7)12(15)16-2/h3-6H,1-2H3
InChIKey
XGKKOOISRLHZEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.83
TPSA
39.19

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
3.1
Consensus LogP
2.9
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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