n-(4-Bromophenyl)-3-nitrobenzamide
TL;DR: n-(4-Bromophenyl)-3-nitrobenzamide (CAS 99514-88-2) is a chemical compound with molecular formula C13H9BrN2O3 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-3-nitrobenzamide
Also Known As: n-(4-bromophenyl)-3-nitrobenzamide, N-(4-bromophenyl)-3-nitro-benzamide, N-(4-bromophenyl)(3-nitrophenyl)carboxamide, J2.602.065D
| Molecular Formula | C13H9BrN2O3 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.97964 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 99514-88-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Br |
| InChIKey | BCNOELQOESJJCH-UHFFFAOYSA-N |
Product Overview
n-(4-Bromophenyl)-3-nitrobenzamide (CAS 99514-88-2), with molecular formula C13H9BrN2O3 and molecular weight 319.98 g/mol. IUPAC: N-(4-bromophenyl)-3-nitrobenzamide.
Chemical Property Profile of n-(4-Bromophenyl)-3-nitrobenzamide
Property Insights of n-(4-Bromophenyl)-3-nitrobenzamide
The XLogP value of 3.3 indicates that n-(4-Bromophenyl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(4-Bromophenyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, n-(4-Bromophenyl)-3-nitrobenzamide 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-(4-Bromophenyl)-3-nitrobenzamide?
The CAS number of n-(4-Bromophenyl)-3-nitrobenzamide is 99514-88-2.
What is the molecular formula of n-(4-Bromophenyl)-3-nitrobenzamide?
The molecular formula of n-(4-Bromophenyl)-3-nitrobenzamide is C13H9BrN2O3.
What is the molecular weight of n-(4-Bromophenyl)-3-nitrobenzamide?
The molecular weight of n-(4-Bromophenyl)-3-nitrobenzamide is 319.98 g/mol.
Where can I buy n-(4-Bromophenyl)-3-nitrobenzamide?
You can request a quote for n-(4-Bromophenyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Bromophenyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Bromophenyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.