allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-13-2) is a chemical compound with molecular formula C24H20F3N3O4S and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H20F3N3O4S |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 5.09548 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.11267 |
| Heavy Atoms | 35 |
| Complexity | 1227.3793 |
Chemical Identifiers
| CAS Number | 796878-13-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-13-2), with molecular formula C24H20F3N3O4S and molecular weight 503.11 g/mol. IUPAC: prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.09548 indicates that allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate has 2 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 allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is 796878-13-2.
What is the molecular formula of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is C24H20F3N3O4S.
What is the molecular weight of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate is 503.11 g/mol.
Where can I buy allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)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 allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.