CAS RN: 386207-63-2

4-Hydroxyquinoline-8-carboxylic acid

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  • Product code: starshine_CAS386207-63-2
  • Purity/Analytical Methods: >99.0%
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386207-63-2 / 4-oxo-1H-quinoline-8-carboxylic acid

Standard CAS: 386207-63-2 Multi CAS: No

Basic Information

CAS
386207-63-2
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
InChI
InChI=1S/C10H7NO3/c12-8-4-5-11-9-6(8)2-1-3-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
HBZGTHSCSFZZGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.53
TPSA
70.16

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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