4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid
TL;DR: 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid (CAS 13593-94-7) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
Also Known As: Kynurenine Yellow, 4-oxo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid, 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid, 4-oxo-1,4-dihydroquinoline-2-carboxylic acid
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 13593-94-7 |
|---|---|
| SMILES | C1C(NC2=CC=CC=C2C1=O)C(=O)O |
| InChIKey | VYOPZMJTHXGKID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid (CAS 13593-94-7), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid.
Chemical Property Profile of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid
Property Insights of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid has 2 hydrogen bond donor(s) and 4 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-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid?
The CAS number of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid is 13593-94-7.
What is the molecular formula of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid?
The molecular formula of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid is C10H9NO3.
What is the molecular weight of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid?
The molecular weight of 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid is 191.06 g/mol.
Where can I buy 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid?
You can request a quote for 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic 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-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.