N-(2-Bromoethyl)-p-nitrobenzamide
TL;DR: N-(2-Bromoethyl)-p-nitrobenzamide (CAS 108481-60-3) is a chemical compound with molecular formula C9H9BrN2O3 and molecular weight 271.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-4-nitrobenzamide
Also Known As: N-(2-Bromoethyl)-p-nitrobenzamide, N-(2-bromoethyl)-4-nitrobenzamide, N-(2-bromoethyl)-4-nitro-benzamide, 2-(4-nitrobenzoylamino)ethyl bromide, 4-nitro-benzoic acid-(2-bromo-ethylamide)
| Molecular Formula | C9H9BrN2O3 |
|---|---|
| Molecular Weight | 271.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.97964 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 108481-60-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCBr)[N+](=O)[O-] |
| InChIKey | OZAFHWUHKCLPEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Bromoethyl)-p-nitrobenzamide (CAS 108481-60-3), with molecular formula C9H9BrN2O3 and molecular weight 271.98 g/mol. IUPAC: N-(2-bromoethyl)-4-nitrobenzamide.
Chemical Property Profile of N-(2-Bromoethyl)-p-nitrobenzamide
Property Insights of N-(2-Bromoethyl)-p-nitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromoethyl)-p-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Bromoethyl)-p-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-Bromoethyl)-p-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-(2-Bromoethyl)-p-nitrobenzamide?
The CAS number of N-(2-Bromoethyl)-p-nitrobenzamide is 108481-60-3.
What is the molecular formula of N-(2-Bromoethyl)-p-nitrobenzamide?
The molecular formula of N-(2-Bromoethyl)-p-nitrobenzamide is C9H9BrN2O3.
What is the molecular weight of N-(2-Bromoethyl)-p-nitrobenzamide?
The molecular weight of N-(2-Bromoethyl)-p-nitrobenzamide is 271.98 g/mol.
Where can I buy N-(2-Bromoethyl)-p-nitrobenzamide?
You can request a quote for N-(2-Bromoethyl)-p-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromoethyl)-p-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromoethyl)-p-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.