![Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate structure](/static/products/202/202519-90-2.png)
Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate
TL;DR: Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate (CAS 202519-90-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
Also Known As: BAS 00635228, benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate, benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate, benzyl 2-((3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio)acetate, benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.3905 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 763.19574 |
Chemical Identifiers
| CAS Number | 202519-90-2 |
|---|---|
| SMILES | CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate (CAS 202519-90-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate
Property Insights of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate
The XLogP value of 2.3905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate has 1 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 Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate?
The CAS number of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate is 202519-90-2.
What is the molecular formula of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate?
The molecular formula of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate is C16H14N2O3S.
What is the molecular weight of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate?
The molecular weight of Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate is 314.07 g/mol.
Where can I buy Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate?
You can request a quote for Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.