5'-Bromo-2'-hydroxy-3'-nitroacetophenone
TL;DR: 5'-Bromo-2'-hydroxy-3'-nitroacetophenone (CAS 7147-97-9) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone
Also Known As: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone, 5'-Bromo-2'-hydroxy-3'-nitroacetophenone, 3-Bromo-6-hydroxy-5-nitroacetophenone, 5-bromo-2-hydroxy-3-nitroacetophenone, 4-vinyl-2,3-dihydrobenzofurane
| Molecular Formula | C8H6BrNO4 |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.94803 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 7147-97-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O |
| InChIKey | CLNIBJASCGZXHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-Bromo-2'-hydroxy-3'-nitroacetophenone (CAS 7147-97-9), with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol. IUPAC: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone.
Chemical Property Profile of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone
Property Insights of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Bromo-2'-hydroxy-3'-nitroacetophenone. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Bromo-2'-hydroxy-3'-nitroacetophenone. Following Lipinski's Rule of Five, 5'-Bromo-2'-hydroxy-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 5'-Bromo-2'-hydroxy-3'-nitroacetophenone?
The CAS number of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone is 7147-97-9.
What is the molecular formula of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone?
The molecular formula of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone is C8H6BrNO4.
What is the molecular weight of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone?
The molecular weight of 5'-Bromo-2'-hydroxy-3'-nitroacetophenone is 258.95 g/mol.
Where can I buy 5'-Bromo-2'-hydroxy-3'-nitroacetophenone?
You can request a quote for 5'-Bromo-2'-hydroxy-3'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Bromo-2'-hydroxy-3'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 5'-Bromo-2'-hydroxy-3'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.