ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-81-7) is a chemical compound with molecular formula C27H28ClN3O3S and molecular weight 509.15 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-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate, ETHYL 4-(2-CHLOROPHENYL)-5-CYANO-6-{[(DIETHYLCARBAMOYL)METHYL]SULFANYL}-2-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H28ClN3O3S |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 5.33798 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.154 |
| Heavy Atoms | 35 |
| Complexity | 1183.6577 |
Chemical Identifiers
| CAS Number | 687591-81-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3Cl)C#N |
Product Overview
ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 687591-81-7), with molecular formula C27H28ClN3O3S and molecular weight 509.15 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.33798 indicates that ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-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-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 687591-81-7.
What is the molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is C27H28ClN3O3S.
What is the molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 509.15 g/mol.
Where can I buy ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-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-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.