5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid
TL;DR: 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid (CAS 439946-24-4) is a chemical compound with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 5-cyano-6-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylic Acid, AE-848/40939189, 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid, 3-Pyridinecarboxylic acid, 5-cyano-6-(ethylthio)-1,2-dihydro-2-oxo-, 5-cyano-6-(ethylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
| Molecular Formula | C9H8N2O3S |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 1.05678 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.02556 |
| Heavy Atoms | 15 |
| Complexity | 487.11133 |
Chemical Identifiers
| CAS Number | 439946-24-4 |
|---|---|
| SMILES | CCSC1=C(C=C(C(=O)N1)C(=O)O)C#N |
Product Overview
5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid (CAS 439946-24-4), with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol. IUPAC: 5-cyano-6-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid
Property Insights of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid
The XLogP value of 1.05678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid. Following Lipinski's Rule of Five, 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic 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
Frequently Asked Questions
What is the CAS number of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid?
The CAS number of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid is 439946-24-4.
What is the molecular formula of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid?
The molecular formula of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid is C9H8N2O3S.
What is the molecular weight of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid?
The molecular weight of 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid is 224.03 g/mol.
Where can I buy 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid?
You can request a quote for 5-Cyano-6-(ethylthio)-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-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-6-(ethylthio)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.