![ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate structure](/static/products/687/687591-89-5.png)
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-89-5) is a chemical compound with molecular formula C29H23ClN2O3S and molecular weight 514.11 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-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate, Ethyl 4-(2-chlorophenyl)-5-cyano-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-oxo-2-phenylethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C29H23ClN2O3S |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 6.35248 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1118 |
| Heavy Atoms | 36 |
| Complexity | 1378.3881 |
Chemical Identifiers
| CAS Number | 687591-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-89-5), with molecular formula C29H23ClN2O3S and molecular weight 514.11 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.35248 indicates that ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate is 687591-89-5.
What is the molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate is C29H23ClN2O3S.
What is the molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate is 514.11 g/mol.
Where can I buy ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-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-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.