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CAS 60506-24-3 Methyl 2-forMylquinoline-4-carboxylate molecular structure lightbox
CAS RN: 60506-24-3

Methyl 2-forMylquinoline-4-carboxylate

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Batchno.20260614 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS60506-24-3
  • Purity/Analytical Methods: >99.0%
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60506-24-3 / methyl 2-formylquinoline-4-carboxylate

Standard CAS: 60506-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60506-24-3
Multi CAS
No
Molecular Formula
C12H9NO3
Molecular Weight
215.200000
Exact Mass
215.058243
InChI
InChI=1S/C12H9NO3/c1-16-12(15)10-6-8(7-14)13-11-5-3-2-4-9(10)11/h2-7H,1H3
InChIKey
RMHVJOWSMSVILC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.47
TPSA
56.26

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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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