![2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid structure](/static/products/1346/134616-73-2.webp)
2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid (CAS 134616-73-2) 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.
2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid
Also Known As: 2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid, [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid, (3-CYANO-4-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-2-YL)THIO]ACETIC ACID, AE-848/32310043, 2-(3-cyano-4-methyl-6-oxo-2-hydropyridylthio)acetic acid
| Molecular Formula | C9H8N2O3S |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 0.7317 |
| 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 | 134616-73-2 |
|---|---|
| SMILES | CC1=CC(=O)NC(=C1C#N)SCC(=O)O |
Product Overview
2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid (CAS 134616-73-2), with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol. IUPAC: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid
The XLogP value of 0.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic 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 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid is 134616-73-2.
What is the molecular formula of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid is C9H8N2O3S.
What is the molecular weight of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid is 224.03 g/mol.
Where can I buy 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.