![Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate structure](/static/products/134/134616-74-3.png)
Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate
TL;DR: Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate (CAS 134616-74-3) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
Also Known As: AH-034/11365994, ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate, ethyl 2-(3-cyano-4-methyl-6-oxo-2-hydropyridylthio)acetate, ethyl [(3-cyano-6-hydroxy-4-methylpyridin-2-yl)sulfanyl]acetate, ethyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.2102 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 516.42834 |
Chemical Identifiers
| CAS Number | 134616-74-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=CC(=O)N1)C)C#N |
Product Overview
Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate (CAS 134616-74-3), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: ethyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate
Property Insights of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate
The XLogP value of 1.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]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 Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate?
The CAS number of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate is 134616-74-3.
What is the molecular formula of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate?
The molecular formula of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate is C11H12N2O3S.
What is the molecular weight of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate?
The molecular weight of Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate is 252.06 g/mol.
Where can I buy Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate?
You can request a quote for Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(3-cyano-4-methyl-6-oxo-1,6-dihydro-2-pyridinyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.