Isoquinoline-4-carboxylic acid
TL;DR: Isoquinoline-4-carboxylic acid (CAS 1185298-08-1) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinoline-4-carboxylic acid
Also Known As: Isoquinoline-4-carboxylic acid, 4-Isoquinolinecarboxylic acid, 4-Carboxyisoquinoline, 4-carboxy-isoquinoline, isoquinoline-4-carboxylic
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H7NO2 |
| Molecular Weight | 173.04768 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.04768 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | C1=CC=C2C(=C1)C=NC=C2C(=O)O |
| InChIKey | MCVMLYSLPCECGO-UHFFFAOYSA-N |
Chemical Property Profile of Isoquinoline-4-carboxylic acid
Property Insights of Isoquinoline-4-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-4-carboxylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, Isoquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-4-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
What is the CAS number of Isoquinoline-4-carboxylic acid?
The CAS number of Isoquinoline-4-carboxylic acid is 1185298-08-1.
What is the molecular formula of Isoquinoline-4-carboxylic acid?
The molecular formula of Isoquinoline-4-carboxylic acid is C10H7NO2.
What is the molecular weight of Isoquinoline-4-carboxylic acid?
The molecular weight of Isoquinoline-4-carboxylic acid is 173.04768 g/mol.
Where can I buy Isoquinoline-4-carboxylic acid?
You can request a quote for Isoquinoline-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Isoquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.