5-Chlorothiokynurenic acid
TL;DR: 5-Chlorothiokynurenic acid (CAS 136036-87-8) 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.
5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
Also Known As: 5-Chlorothiokynurenic acid, 5-Cl-Thio-kyna, 5-Chloro-thiokynurenate, 5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid, 2-Quinolinecarboxylicacid, 5-chloro-4-mercapto-
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(=C1)Cl)C(=S)C=C(N2)C(=O)O |
| InChIKey | BMBZHFGIBHDMCV-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chlorothiokynurenic acid
Property Insights of 5-Chlorothiokynurenic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorothiokynurenic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chlorothiokynurenic acid. Following Lipinski's Rule of Five, 5-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 5-Chlorothiokynurenic acid?
The CAS number of 5-Chlorothiokynurenic acid is 136036-87-8.
What is the molecular formula of 5-Chlorothiokynurenic acid?
The molecular formula of 5-Chlorothiokynurenic acid is C10H6ClNO2S.
What is the molecular weight of 5-Chlorothiokynurenic acid?
The molecular weight of 5-Chlorothiokynurenic acid is 238.98077 g/mol.
Where can I buy 5-Chlorothiokynurenic acid?
You can request a quote for 5-Chlorothiokynurenic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chlorothiokynurenic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chlorothiokynurenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.