ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate
TL;DR: ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate (CAS 799820-33-0) is a chemical compound with molecular formula C29H25N3O5S and molecular weight 527.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate
Also Known As: ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate, ethyl 4-[({5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate, ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate
| Molecular Formula | C29H25N3O5S |
|---|---|
| Molecular Weight | 527.15 g/mol |
| LogP | 5.40708 |
| Topological Polar Surface Area | 121.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.1515 |
| Heavy Atoms | 38 |
| Complexity | 1435.579 |
Chemical Identifiers
| CAS Number | 799820-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)C4=CC=CC=C4)C |
Product Overview
ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate (CAS 799820-33-0), with molecular formula C29H25N3O5S and molecular weight 527.15 g/mol. IUPAC: ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate
Property Insights of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate
The XLogP value of 5.40708 indicates that ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate has 2 hydrogen bond donor(s) and 8 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-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate?
The CAS number of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate is 799820-33-0.
What is the molecular formula of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate?
The molecular formula of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate is C29H25N3O5S.
What is the molecular weight of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate?
The molecular weight of ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate is 527.15 g/mol.
Where can I buy ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate?
You can request a quote for ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.