5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
TL;DR: 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide (CAS 384356-65-4) is a chemical compound with molecular formula C31H28N4O3S and molecular weight 536.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Also Known As: 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide, 5-CYANO-6-({[(2,5-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(4-METHOXYPHENYL)-2-METHYL-N-PHENYLPYRIDINE-3-CARBOXAMIDE, 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide, 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
| Molecular Formula | C31H28N4O3S |
|---|---|
| Molecular Weight | 536.19 g/mol |
| LogP | 6.53724 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.18823 |
| Heavy Atoms | 39 |
| Complexity | 1562.0082 |
Chemical Identifiers
| CAS Number | 384356-65-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4)C |
Product Overview
5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide (CAS 384356-65-4), with molecular formula C31H28N4O3S and molecular weight 536.19 g/mol. IUPAC: 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
Property Insights of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
The XLogP value of 6.53724 indicates that 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide. Following Lipinski's Rule of Five, 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide 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 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The CAS number of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is 384356-65-4.
What is the molecular formula of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The molecular formula of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is C31H28N4O3S.
What is the molecular weight of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The molecular weight of 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is 536.19 g/mol.
Where can I buy 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
You can request a quote for 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-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-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.