Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
TL;DR: Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 332045-84-8) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate
Also Known As: IFLab1_000873, ethyl 2-[(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate, ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, F0291-0115, ethyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio]acetate
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.32158 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 634.541 |
Chemical Identifiers
| CAS Number | 332045-84-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2)C#N |
Product Overview
Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 332045-84-8), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: ethyl 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
Property Insights of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
The XLogP value of 2.32158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)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 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 332045-84-8.
What is the molecular formula of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is C16H16N2O3S.
What is the molecular weight of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 316.09 g/mol.
Where can I buy Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)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 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.