ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 488109-27-9) is a chemical compound with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H24N2O5S |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 4.34838 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.1406 |
| Heavy Atoms | 34 |
| Complexity | 1193.9468 |
Chemical Identifiers
| CAS Number | 488109-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)C3=CC=CC=C3)C |
Product Overview
ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 488109-27-9), with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol. IUPAC: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.34838 indicates that ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is 488109-27-9.
What is the molecular formula of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is C26H24N2O5S.
What is the molecular weight of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is 476.14 g/mol.
Where can I buy ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-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-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-4-(4-(methoxycarbonyl)phenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.