5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide
TL;DR: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide (CAS 201281-14-3) is a chemical compound with molecular formula C28H20FN3O2S and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenylpyridine-3-carboxamide
Also Known As: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide, 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-pyridine-3-carboxamide, 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenylpyridine-3-carboxamide
| Molecular Formula | C28H20FN3O2S |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 6.2951 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.12604 |
| Heavy Atoms | 35 |
| Complexity | 1417.03 |
Chemical Identifiers
| CAS Number | 201281-14-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4 |
Product Overview
5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide (CAS 201281-14-3), with molecular formula C28H20FN3O2S and molecular weight 481.13 g/mol. IUPAC: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenylpyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide
Property Insights of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide
The XLogP value of 6.2951 indicates that 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide. Following Lipinski's Rule of Five, 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide?
The CAS number of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide is 201281-14-3.
What is the molecular formula of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide?
The molecular formula of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide is C28H20FN3O2S.
What is the molecular weight of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide?
The molecular weight of 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide is 481.13 g/mol.
Where can I buy 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide?
You can request a quote for 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-4-(4-fluorophenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.