benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799784-26-2) is a chemical compound with molecular formula C26H25ClN2O4S and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate, benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate, benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-propoxyethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H25ClN2O4S |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 5.46578 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.12234 |
| Heavy Atoms | 34 |
| Complexity | 1154.8906 |
Chemical Identifiers
| CAS Number | 799784-26-2 |
|---|---|
| SMILES | CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N |
Product Overview
benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799784-26-2), with molecular formula C26H25ClN2O4S and molecular weight 496.12 g/mol. IUPAC: benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.46578 indicates that benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-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-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-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-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate is 799784-26-2.
What is the molecular formula of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate is C26H25ClN2O4S.
What is the molecular weight of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate is 496.12 g/mol.
Where can I buy benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-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-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-propoxyethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.