ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369394-24-1) is a chemical compound with molecular formula C16H15FN2O3S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(2-fluorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-fluorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C16H15FN2O3S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 2.31658 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.07874 |
| Heavy Atoms | 23 |
| Complexity | 711.52203 |
Chemical Identifiers
| CAS Number | 369394-24-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2F |
Product Overview
ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369394-24-1), with molecular formula C16H15FN2O3S and molecular weight 334.08 g/mol. IUPAC: ethyl 5-cyano-4-(2-fluorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 2.31658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate 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 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 369394-24-1.
What is the molecular formula of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is C16H15FN2O3S.
What is the molecular weight of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 334.08 g/mol.
Where can I buy ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-4-(2-fluorophenyl)-6-(methylthio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.