1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid
TL;DR: 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 340141-93-7) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-2H-isoquinoline-4-carboxylic acid
Also Known As: 1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid, 1-oxo-2H-isoquinoline-4-carboxylic acid, Bionet2_000184, 1-Hydroxyisoquinoline-4-carboxylic acid
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 340141-93-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CNC2=O)C(=O)O |
| InChIKey | IMEDZEDITFIMAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 340141-93-7), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 1-oxo-2H-isoquinoline-4-carboxylic acid.
Chemical Property Profile of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Property Insights of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid has 2 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 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The CAS number of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 340141-93-7.
What is the molecular formula of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular formula of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid is C10H7NO3.
What is the molecular weight of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular weight of 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 189.04 g/mol.
Where can I buy 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
You can request a quote for 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.