alpha-Bromo-4-amino-3-nitroacetophenone
TL;DR: alpha-Bromo-4-amino-3-nitroacetophenone (CAS 74902-59-3) 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.
1-(4-amino-3-nitrophenyl)-2-bromoethanone
Also Known As: Aba-nap, alpha-Bromo-4-amino-3-nitroacetophenone, 4-amino-3-nitrophenacyl bromide, 1-(4-amino-3-nitrophenyl)-2-bromoethanone, Ethanone, 1-(4-amino-3-nitrophenyl)-2-bromo-
| Molecular Formula | C8H7BrN2O3 |
|---|---|
| Molecular Weight | 257.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.964 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 74902-59-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])N |
| InChIKey | LCFRGYUASANOFK-UHFFFAOYSA-N |
Product Overview
alpha-Bromo-4-amino-3-nitroacetophenone (CAS 74902-59-3), with molecular formula C8H7BrN2O3 and molecular weight 257.96 g/mol. IUPAC: 1-(4-amino-3-nitrophenyl)-2-bromoethanone.
Chemical Property Profile of alpha-Bromo-4-amino-3-nitroacetophenone
Property Insights of alpha-Bromo-4-amino-3-nitroacetophenone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Bromo-4-amino-3-nitroacetophenone. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Bromo-4-amino-3-nitroacetophenone. Following Lipinski's Rule of Five, alpha-Bromo-4-amino-3-nitroacetophenone has 1 hydrogen bond donor(s) and 4 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 alpha-Bromo-4-amino-3-nitroacetophenone?
The CAS number of alpha-Bromo-4-amino-3-nitroacetophenone is 74902-59-3.
What is the molecular formula of alpha-Bromo-4-amino-3-nitroacetophenone?
The molecular formula of alpha-Bromo-4-amino-3-nitroacetophenone is C8H7BrN2O3.
What is the molecular weight of alpha-Bromo-4-amino-3-nitroacetophenone?
The molecular weight of alpha-Bromo-4-amino-3-nitroacetophenone is 257.96 g/mol.
Where can I buy alpha-Bromo-4-amino-3-nitroacetophenone?
You can request a quote for alpha-Bromo-4-amino-3-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Bromo-4-amino-3-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Bromo-4-amino-3-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.