2-bromo-N-(4-nitrophenyl)acetamide
TL;DR: 2-bromo-N-(4-nitrophenyl)acetamide (CAS 3598-91-2) is a chemical compound with molecular formula C8H7BrN2O3 and molecular weight 257.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(4-nitrophenyl)acetamide
Also Known As: 2-bromo-N-(4-nitrophenyl)acetamide, n-bromoacetyl-4-nitro-aniline, Acetamide, 2-bromo-N-(4-nitrophenyl)-, 4-((bromoacetyl)amino)nitrobenzene, 2-Bromo-N-(4-nitro-phenyl)-acetamide
| Molecular Formula | C8H7BrN2O3 |
|---|---|
| Molecular Weight | 257.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.964 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3598-91-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CBr)[N+](=O)[O-] |
| InChIKey | XSKCUIFGKBMFOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromo-N-(4-nitrophenyl)acetamide (CAS 3598-91-2), with molecular formula C8H7BrN2O3 and molecular weight 257.96 g/mol. IUPAC: 2-bromo-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-bromo-N-(4-nitrophenyl)acetamide
Property Insights of 2-bromo-N-(4-nitrophenyl)acetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-(4-nitrophenyl)acetamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-bromo-N-(4-nitrophenyl)acetamide 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 2-bromo-N-(4-nitrophenyl)acetamide?
The CAS number of 2-bromo-N-(4-nitrophenyl)acetamide is 3598-91-2.
What is the molecular formula of 2-bromo-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-bromo-N-(4-nitrophenyl)acetamide is C8H7BrN2O3.
What is the molecular weight of 2-bromo-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-bromo-N-(4-nitrophenyl)acetamide is 257.96 g/mol.
Where can I buy 2-bromo-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-bromo-N-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.