Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
TL;DR: Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 375834-35-8) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, F1154-0281, ethyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, ethyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 691.32404 |
Chemical Identifiers
| CAS Number | 375834-35-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2C)C#N |
Product Overview
Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 375834-35-8), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: ethyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
Property Insights of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-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-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-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-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 375834-35-8.
What is the molecular formula of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is C17H18N2O3S.
What is the molecular weight of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 330.10 g/mol.
Where can I buy Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-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-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.