methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
TL;DR: methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate (CAS 361478-16-2) is a chemical compound with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, 4-(4-chlorophenyl)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester, 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester, methyl 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-[(2-methoxy-2-oxoethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate, methyl 4-(4-chlorophenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C17H15ClN2O5S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.03903 |
| Heavy Atoms | 26 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 361478-16-2 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N |
| InChIKey | YFSHYHLNKSDTRS-UHFFFAOYSA-N |
Product Overview
methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate (CAS 361478-16-2), with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol. IUPAC: methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Property Insights of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The CAS number of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is 361478-16-2.
What is the molecular formula of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The molecular formula of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is C17H15ClN2O5S.
What is the molecular weight of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The molecular weight of methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is 394.04 g/mol.
Where can I buy methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
You can request a quote for methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.