![ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate structure](/static/products/687/687591-95-3.png)
ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-95-3) is a chemical compound with molecular formula C29H24ClN3O3S and molecular weight 529.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate, ETHYL 4-(4-CHLOROPHENYL)-5-CYANO-2-PHENYL-6-{[(PHENYLCARBAMOYL)METHYL]SULFANYL}-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, ethyl 4-(4-chlorophenyl)-5-cyano-6-((2-oxo-2-(phenylamino)ethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C29H24ClN3O3S |
|---|---|
| Molecular Weight | 529.12 g/mol |
| LogP | 6.10828 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1227 |
| Heavy Atoms | 37 |
| Complexity | 1381.404 |
Chemical Identifiers
| CAS Number | 687591-95-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-95-3), with molecular formula C29H24ClN3O3S and molecular weight 529.12 g/mol. IUPAC: ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.10828 indicates that ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate has 2 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-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate is 687591-95-3.
What is the molecular formula of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate is C29H24ClN3O3S.
What is the molecular weight of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate is 529.12 g/mol.
Where can I buy ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]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-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.