Isoquinoline-1-carboxylic acid
TL;DR: Isoquinoline-1-carboxylic acid (CAS 486-73-7) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline-1-carboxylic acid
Also Known As: Isoquinoline-1-carboxylic acid, 1-Isoquinolinecarboxylic acid, 1-Carboxyisoquinoline, Isoquinaldic acid, isoquinolinecarboxylic acid
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 486-73-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2C(=O)O |
| InChIKey | XAAKCCMYRKZRAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-1-carboxylic acid (CAS 486-73-7), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: isoquinoline-1-carboxylic acid.
Chemical Property Profile of Isoquinoline-1-carboxylic acid
Property Insights of Isoquinoline-1-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-1-carboxylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, Isoquinoline-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-1-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinoline-1-carboxylic acid?
The CAS number of Isoquinoline-1-carboxylic acid is 486-73-7.
What is the molecular formula of Isoquinoline-1-carboxylic acid?
The molecular formula of Isoquinoline-1-carboxylic acid is C10H7NO2.
What is the molecular weight of Isoquinoline-1-carboxylic acid?
The molecular weight of Isoquinoline-1-carboxylic acid is 173.05 g/mol.
Where can I buy Isoquinoline-1-carboxylic acid?
You can request a quote for Isoquinoline-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.