N-(2-Bromoethyl)-2-nitrobenzamide
TL;DR: N-(2-Bromoethyl)-2-nitrobenzamide (CAS 63004-24-0) 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)-2-nitrobenzamide
Also Known As: N-(2-Bromoethyl)-2-nitrobenzamide, EINECS 263-786-6, Benzamide,N-(2-bromoethyl)-2-nitro-, Benzamide, N-(2-bromoethyl)-2-nitro-, N-(2-Bromoethyl)-2-nitrobenzene-1-carboximidic acid
| Molecular Formula | C9H9BrN2O3 |
|---|---|
| Molecular Weight | 271.98 g/mol |
| LogP | 1.7195 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.97964 |
| Heavy Atoms | 15 |
| Complexity | 381.37512 |
Chemical Identifiers
| CAS Number | 63004-24-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCCBr)[N+](=O)[O-] |
Product Overview
N-(2-Bromoethyl)-2-nitrobenzamide (CAS 63004-24-0), with molecular formula C9H9BrN2O3 and molecular weight 271.98 g/mol. IUPAC: N-(2-bromoethyl)-2-nitrobenzamide.
Chemical Property Profile of N-(2-Bromoethyl)-2-nitrobenzamide
Property Insights of N-(2-Bromoethyl)-2-nitrobenzamide
The XLogP value of 1.7195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromoethyl)-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Bromoethyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-Bromoethyl)-2-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)-2-nitrobenzamide?
The CAS number of N-(2-Bromoethyl)-2-nitrobenzamide is 63004-24-0.
What is the molecular formula of N-(2-Bromoethyl)-2-nitrobenzamide?
The molecular formula of N-(2-Bromoethyl)-2-nitrobenzamide is C9H9BrN2O3.
What is the molecular weight of N-(2-Bromoethyl)-2-nitrobenzamide?
The molecular weight of N-(2-Bromoethyl)-2-nitrobenzamide is 271.98 g/mol.
Where can I buy N-(2-Bromoethyl)-2-nitrobenzamide?
You can request a quote for N-(2-Bromoethyl)-2-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)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromoethyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.