5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
TL;DR: 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 369397-71-7) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 5-cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 5-cyano-6-(methylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 5-cyano-6-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid, 5-cyano-2-hydroxy-6-(methylthio)nicotinic acid, 5-cyano-2-hydroxy-6-(methylsulfanyl)pyridine-3-carboxylic acid
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 369397-71-7 |
|---|---|
| SMILES | CSC1=C(C=C(C(=O)N1)C(=O)O)C#N |
| InChIKey | DHWIFHCOMJIINQ-UHFFFAOYSA-N |
Product Overview
5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 369397-71-7), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 5-cyano-6-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Property Insights of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The CAS number of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 369397-71-7.
What is the molecular formula of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular formula of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid is C8H6N2O3S.
What is the molecular weight of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular weight of 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 210.01 g/mol.
Where can I buy 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
You can request a quote for 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.