1-(5-Hydroxy-2-nitrophenyl)ethanone
TL;DR: 1-(5-Hydroxy-2-nitrophenyl)ethanone (CAS 30879-49-3) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-hydroxy-2-nitrophenyl)ethanone
Also Known As: 1-(5-Hydroxy-2-nitrophenyl)ethanone, 5'-Hydroxy-2'-nitroacetophenone, Ethanone, 1-(5-hydroxy-2-nitrophenyl)-, 1-(5-hydroxy-2-nitrophenyl)ethan-1-one, 2'-Nitro-5'-hydroxyacetophenone
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 30879-49-3 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | PHQWMZYOGOPUIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Hydroxy-2-nitrophenyl)ethanone (CAS 30879-49-3), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 1-(5-hydroxy-2-nitrophenyl)ethanone.
Chemical Property Profile of 1-(5-Hydroxy-2-nitrophenyl)ethanone
Property Insights of 1-(5-Hydroxy-2-nitrophenyl)ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Hydroxy-2-nitrophenyl)ethanone. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Hydroxy-2-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(5-Hydroxy-2-nitrophenyl)ethanone 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 1-(5-Hydroxy-2-nitrophenyl)ethanone?
The CAS number of 1-(5-Hydroxy-2-nitrophenyl)ethanone is 30879-49-3.
What is the molecular formula of 1-(5-Hydroxy-2-nitrophenyl)ethanone?
The molecular formula of 1-(5-Hydroxy-2-nitrophenyl)ethanone is C8H7NO4.
What is the molecular weight of 1-(5-Hydroxy-2-nitrophenyl)ethanone?
The molecular weight of 1-(5-Hydroxy-2-nitrophenyl)ethanone is 181.04 g/mol.
Where can I buy 1-(5-Hydroxy-2-nitrophenyl)ethanone?
You can request a quote for 1-(5-Hydroxy-2-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Hydroxy-2-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Hydroxy-2-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.