ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-86-2) is a chemical compound with molecular formula C22H19ClN2O2S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, Ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H19ClN2O2S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 5.09938 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.08557 |
| Heavy Atoms | 28 |
| Complexity | 993.0964 |
Chemical Identifiers
| CAS Number | 687591-86-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SC)C3=CC=CC=C3 |
Product Overview
ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-86-2), with molecular formula C22H19ClN2O2S and molecular weight 410.09 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.09938 indicates that ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 687591-86-2.
What is the molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is C22H19ClN2O2S.
What is the molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 410.09 g/mol.
Where can I buy ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-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 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.