CAS RN: 911109-16-5

8-HYDROXYQUINOLINE-3-CARBOXYLIC ACID

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  • Product code: starshine_CAS911109-16-5
  • Purity/Analytical Methods: >99.0%
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911109-16-5 / 8-hydroxyquinoline-3-carboxylic acid

Standard CAS: 911109-16-5 Multi CAS: Yes

Basic Information

CAS
911109-16-5
Multi CAS
Yes
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
InChI
InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-7(10(13)14)5-11-9(6)8/h1-5,12H,(H,13,14)
InChIKey
ZANGALOTOWAFFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.37
TPSA
70.42

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.71

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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