N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide
TL;DR: N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide (CAS 313662-35-0) is a chemical compound with molecular formula C21H13BrN2O2 and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide
Also Known As: N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide, F0016-0488
| Molecular Formula | C21H13BrN2O2 |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 4.80408 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.01605 |
| Heavy Atoms | 26 |
| Complexity | 1006.4311 |
Chemical Identifiers
| CAS Number | 313662-35-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide (CAS 313662-35-0), with molecular formula C21H13BrN2O2 and molecular weight 404.02 g/mol. IUPAC: N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide.
Chemical Property Profile of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide
Property Insights of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide
The XLogP value of 4.80408 indicates that N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide. Following Lipinski's Rule of Five, N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide?
The CAS number of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide is 313662-35-0.
What is the molecular formula of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide?
The molecular formula of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide is C21H13BrN2O2.
What is the molecular weight of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide?
The molecular weight of N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide is 404.02 g/mol.
Where can I buy N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide?
You can request a quote for N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzoyl-5-bromophenyl)-4-cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.