6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide
TL;DR: 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide (CAS 380461-57-4) is a chemical compound with molecular formula C21H14ClF3N4O3S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methylpyridine-3-carboxamide
Also Known As: 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide, 6-[(2-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-5-cyano-4-(furan-2-yl)-2-methylpyridine-3-carboxamide, 6-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methylpyridine-3-carboxamide
| Molecular Formula | C21H14ClF3N4O3S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 5.0236 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.04272 |
| Heavy Atoms | 33 |
| Complexity | 1271.2349 |
Chemical Identifiers
| CAS Number | 380461-57-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)C#N)C3=CC=CO3)C(=O)N |
Product Overview
6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide (CAS 380461-57-4), with molecular formula C21H14ClF3N4O3S and molecular weight 494.04 g/mol. IUPAC: 6-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methylpyridine-3-carboxamide.
Chemical Property Profile of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide
Property Insights of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide
The XLogP value of 5.0236 indicates that 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide. Following Lipinski's Rule of Five, 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide?
The CAS number of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide is 380461-57-4.
What is the molecular formula of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide?
The molecular formula of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide is C21H14ClF3N4O3S.
What is the molecular weight of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide?
The molecular weight of 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide is 494.04 g/mol.
Where can I buy 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide?
You can request a quote for 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.