7,8-Dihydroxykynurenic acid
TL;DR: 7,8-Dihydroxykynurenic acid (CAS 2547-48-0) is a chemical compound with molecular formula C10H7NO5 and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dihydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Also Known As: 7,8-dihydroxykynurenic acid, 7,8-Dihydroxykynurenate, 4,7,8-trihydroxyquinoline-2-carboxylic acid, 7,8-dihydroxy-4-oxo-1H-quinoline-2-carboxylic acid, 4,7,8-Trihydroxy-2-quinolinecarboxylic acid
| Molecular Formula | C10H7NO5 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.03242 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 2547-48-0 |
|---|---|
| SMILES | C1=CC(=C(C2=C1C(=O)C=C(N2)C(=O)O)O)O |
| InChIKey | TYPRWJJYCBNAQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8-Dihydroxykynurenic acid (CAS 2547-48-0), with molecular formula C10H7NO5 and molecular weight 221.03 g/mol. IUPAC: 7,8-dihydroxy-4-oxo-1H-quinoline-2-carboxylic acid.
Chemical Property Profile of 7,8-Dihydroxykynurenic acid
Property Insights of 7,8-Dihydroxykynurenic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dihydroxykynurenic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dihydroxykynurenic acid. Following Lipinski's Rule of Five, 7,8-Dihydroxykynurenic acid has 4 hydrogen bond donor(s) and 6 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 7,8-Dihydroxykynurenic acid?
The CAS number of 7,8-Dihydroxykynurenic acid is 2547-48-0.
What is the molecular formula of 7,8-Dihydroxykynurenic acid?
The molecular formula of 7,8-Dihydroxykynurenic acid is C10H7NO5.
What is the molecular weight of 7,8-Dihydroxykynurenic acid?
The molecular weight of 7,8-Dihydroxykynurenic acid is 221.03 g/mol.
Where can I buy 7,8-Dihydroxykynurenic acid?
You can request a quote for 7,8-Dihydroxykynurenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxykynurenic acid?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxykynurenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.