6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
TL;DR: 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide (CAS 369396-05-4) is a chemical compound with molecular formula C29H23ClN4O3S and molecular weight 542.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Also Known As: 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide, 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide, 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
| Molecular Formula | C29H23ClN4O3S |
|---|---|
| Molecular Weight | 542.12 g/mol |
| LogP | 6.5738 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.1179 |
| Heavy Atoms | 38 |
| Complexity | 1519.8373 |
Chemical Identifiers
| CAS Number | 369396-05-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4 |
Product Overview
6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide (CAS 369396-05-4), with molecular formula C29H23ClN4O3S and molecular weight 542.12 g/mol. IUPAC: 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide.
Chemical Property Profile of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
Property Insights of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide
The XLogP value of 6.5738 indicates that 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-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 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide. Following Lipinski's Rule of Five, 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-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 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The CAS number of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is 369396-05-4.
What is the molecular formula of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The molecular formula of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is C29H23ClN4O3S.
What is the molecular weight of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
The molecular weight of 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide is 542.12 g/mol.
Where can I buy 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
You can request a quote for 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-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 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.