4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide
TL;DR: 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide (CAS 201280-76-4) is a chemical compound with molecular formula C28H22BrN3OS and molecular weight 527.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
Also Known As: 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide, 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylbenzyl)sulfanyl]-N-phenylpyridine-3-carboxamide, 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
| Molecular Formula | C28H22BrN3OS |
|---|---|
| Molecular Weight | 527.07 g/mol |
| LogP | 7.54422 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.0667 |
| Heavy Atoms | 34 |
| Complexity | 1379.6693 |
Chemical Identifiers
| CAS Number | 201280-76-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4)C |
Product Overview
4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide (CAS 201280-76-4), with molecular formula C28H22BrN3OS and molecular weight 527.07 g/mol. IUPAC: 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide.
Chemical Property Profile of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide
Property Insights of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide
The XLogP value of 7.54422 indicates that 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide?
The CAS number of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide is 201280-76-4.
What is the molecular formula of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide?
The molecular formula of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide is C28H22BrN3OS.
What is the molecular weight of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide?
The molecular weight of 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide is 527.07 g/mol.
Where can I buy 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide?
You can request a quote for 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)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 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-5-cyano-2-methyl-6-((2-methylbenzyl)thio)-N-phenylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.