3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide
TL;DR: 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide (CAS 75790-50-0) is a chemical compound with molecular formula C20H18BrN3O2 and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide
Also Known As: 3-Tbdcmbs, 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide, N-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide, Benzamide, N-(2-bromo-5-cyanophenyl)-4-cyano-3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-, Benzamide,N-(2-bromo-5-cyanophenyl)-4-cyano-3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-
| Molecular Formula | C20H18BrN3O2 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.05823 |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 75790-50-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)NC2=C(C=CC(=C2)C#N)Br)O)C(C)(C)C)C#N |
| InChIKey | GUQOBHIZESNKJK-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide (CAS 75790-50-0), with molecular formula C20H18BrN3O2 and molecular weight 411.06 g/mol. IUPAC: N-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide.
Chemical Property Profile of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide
Property Insights of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide
The XLogP value of 5.1 indicates that 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide. Following Lipinski's Rule of Five, 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide has 2 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 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide?
The CAS number of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide is 75790-50-0.
What is the molecular formula of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide?
The molecular formula of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide is C20H18BrN3O2.
What is the molecular weight of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide?
The molecular weight of 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide is 411.06 g/mol.
Where can I buy 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide?
You can request a quote for 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.