7-Chlorothiokynurenic acid
TL;DR: 7-Chlorothiokynurenic acid (CAS 135025-56-8) is a chemical compound with molecular formula C10H6ClNO2S and molecular weight 238.98077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
Also Known As: 7-Chlorothiokynurenic acid, 7-Cl-Thio-kyna, 7-Chloro-thiokynurenate, 7-Cl-Thio-kynurenate, 7-Chloro-thiokynurenic acid
Technical Specifications
| Molecular Formula | C10H6ClNO2S |
| Molecular Weight | 238.98077 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.98077 Da |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
| SMILES | C1=CC2=C(C=C1Cl)NC(=CC2=S)C(=O)O |
| InChIKey | KSCOHHUVHWAXLK-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chlorothiokynurenic acid
Property Insights of 7-Chlorothiokynurenic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chlorothiokynurenic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chlorothiokynurenic acid. Following Lipinski's Rule of Five, 7-Chlorothiokynurenic 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
What is the CAS number of 7-Chlorothiokynurenic acid?
The CAS number of 7-Chlorothiokynurenic acid is 135025-56-8.
What is the molecular formula of 7-Chlorothiokynurenic acid?
The molecular formula of 7-Chlorothiokynurenic acid is C10H6ClNO2S.
What is the molecular weight of 7-Chlorothiokynurenic acid?
The molecular weight of 7-Chlorothiokynurenic acid is 238.98077 g/mol.
Where can I buy 7-Chlorothiokynurenic acid?
You can request a quote for 7-Chlorothiokynurenic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chlorothiokynurenic acid?
Yes, CoreyChem provides custom synthesis services for 7-Chlorothiokynurenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.