CAS RN: 1539636-62-8
3-aminoquinoline-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1539636-62-8
- Purity/Analytical Methods: >99.0%
1539636-62-8 / 3-aminoquinoline-5-carboxylic acid
Basic Information
CAS
1539636-62-8
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC(=C2C=C(C=NC2=C1)N)C(=O)O
InChI
InChI=1S/C10H8N2O2/c11-6-4-8-7(10(13)14)2-1-3-9(8)12-5-6/h1-5H,11H2,(H,13,14)
InChIKey
CCBQYDTTWSYMNT-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
53.11
TPSA
76.21
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1
Consensus LogP
1.28
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.79
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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