benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 369398-39-0) is a chemical compound with molecular formula C30H25ClN2O4S and molecular weight 544.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate, benzyl 6-((2-(benzyloxy)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, benzyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C30H25ClN2O4S |
|---|---|
| Molecular Weight | 544.12 g/mol |
| LogP | 6.25598 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.1224 |
| Heavy Atoms | 38 |
| Complexity | 1397.6752 |
Chemical Identifiers
| CAS Number | 369398-39-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4 |
Product Overview
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 369398-39-0), with molecular formula C30H25ClN2O4S and molecular weight 544.12 g/mol. IUPAC: benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.25598 indicates that benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate has 1 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 benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate is 369398-39-0.
What is the molecular formula of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate is C30H25ClN2O4S.
What is the molecular weight of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate is 544.12 g/mol.
Where can I buy benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-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 benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.