benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-76-7) is a chemical compound with molecular formula C30H22N2O6S and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C30H22N2O6S |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 5.44148 |
| Topological Polar Surface Area | 122.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1199 |
| Heavy Atoms | 39 |
| Complexity | 1711.6913 |
Chemical Identifiers
| CAS Number | 796878-76-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5 |
Product Overview
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-76-7), with molecular formula C30H22N2O6S and molecular weight 538.12 g/mol. IUPAC: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.44148 indicates that benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.54 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is 796878-76-7.
What is the molecular formula of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is C30H22N2O6S.
What is the molecular weight of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is 538.12 g/mol.
Where can I buy benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)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 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.