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CAS 1593934-90-7 4-Quinolinecarboxylic acid, 8-methyl-, methyl ester molecular structure lightbox
CAS RN: 1593934-90-7

4-Quinolinecarboxylic acid, 8-methyl-, methyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1593934-90-7
  • Purity/Analytical Methods: >99.0%
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1593934-90-7 / methyl 8-methylquinoline-4-carboxylate

Standard CAS: 1593934-90-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1593934-90-7
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
CC1=C2C(=CC=C1)C(=CC=N2)C(=O)OC
InChI
InChI=1S/C12H11NO2/c1-8-4-3-5-9-10(12(14)15-2)6-7-13-11(8)9/h3-7H,1-2H3
InChIKey
OQSSKGSCBLWROY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.82
TPSA
39.19

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.29

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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