ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687592-07-0) is a chemical compound with molecular formula C28H24ClN3O4S and molecular weight 533.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ETHYL 6-({[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(FURAN-2-YL)-2-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, ethyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H24ClN3O4S |
|---|---|
| Molecular Weight | 533.12 g/mol |
| LogP | 6.0097 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1176 |
| Heavy Atoms | 37 |
| Complexity | 1408.9338 |
Chemical Identifiers
| CAS Number | 687592-07-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4 |
Product Overview
ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687592-07-0), with molecular formula C28H24ClN3O4S and molecular weight 533.12 g/mol. IUPAC: ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.0097 indicates that ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 687592-07-0.
What is the molecular formula of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate is C28H24ClN3O4S.
What is the molecular weight of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 533.12 g/mol.
Where can I buy ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-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 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.