CAS RN: 1337880-39-3
3-hydroxyisoquinoline-6-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.20260216 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1337880-39-3
- Purity/Analytical Methods: >99.0%
1337880-39-3 / 3-oxo-2H-isoquinoline-6-carboxylic acid
Basic Information
CAS
1337880-39-3
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC2=CNC(=O)C=C2C=C1C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-4-8-3-6(10(13)14)1-2-7(8)5-11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
HGSGOKOTKXEKRI-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
-0.2
Consensus LogP
0.7
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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