Thiokynurenate
TL;DR: Thiokynurenate (CAS 135025-53-5) is a chemical compound with molecular formula C10H7NO2S and molecular weight 205.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-sulfanylidene-1H-quinoline-2-carboxylic acid
Also Known As: Thiokynurenate, 4-Thiokynurenic acid, THIOKYNURENIC ACID, 4-sulfanylidene-1H-quinoline-2-carboxylic acid, 2-Quinolinecarboxylicacid, 4-mercapto-
Technical Specifications
| Molecular Formula | C10H7NO2S |
| Molecular Weight | 205.01974 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.01974 Da |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
| SMILES | C1=CC=C2C(=C1)C(=S)C=C(N2)C(=O)O |
| InChIKey | XZIHFALIJOJWOV-UHFFFAOYSA-N |
Chemical Property Profile of Thiokynurenate
Property Insights of Thiokynurenate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiokynurenate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiokynurenate. Following Lipinski's Rule of Five, Thiokynurenate 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 Thiokynurenate?
The CAS number of Thiokynurenate is 135025-53-5.
What is the molecular formula of Thiokynurenate?
The molecular formula of Thiokynurenate is C10H7NO2S.
What is the molecular weight of Thiokynurenate?
The molecular weight of Thiokynurenate is 205.01974 g/mol.
Where can I buy Thiokynurenate?
You can request a quote for Thiokynurenate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiokynurenate?
Yes, CoreyChem provides custom synthesis services for Thiokynurenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.