4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid
TL;DR: 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 18514-85-7) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1H-cinnoline-3-carboxylic acid
Also Known As: 4-HYDROXYCINNOLINE-3-CARBOXYLIC ACID, 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid, 4-oxo-1H-cinnoline-3-carboxylic acid, 4-Hydroxy-3-cinnolinecarboxylic acid, 4(1H)-oxocinnoline 3-carboxylic acid
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 18514-85-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=NN2)C(=O)O |
| InChIKey | ZIPLRYYWAXPVMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 18514-85-7), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 4-oxo-1H-cinnoline-3-carboxylic acid.
Chemical Property Profile of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid
Property Insights of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The CAS number of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid is 18514-85-7.
What is the molecular formula of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The molecular formula of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid is C9H6N2O3.
What is the molecular weight of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The molecular weight of 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid is 190.04 g/mol.
Where can I buy 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid?
You can request a quote for 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1,4-dihydrocinnoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.