1-(4-Hydroxy-3-nitrophenyl)propan-1-one
TL;DR: 1-(4-Hydroxy-3-nitrophenyl)propan-1-one (CAS 5129-46-4) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-nitrophenyl)propan-1-one
Also Known As: 1-(4-hydroxy-3-nitrophenyl)propan-1-one, 3-nitro-4-hydroxypropiophenone, 4'-Hydroxy-3'-nitropropiophenone, KST-1B4653, 3 -Nitro-4 -hydroxypropiophenone
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 5129-46-4 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | ZXXQSUUUGORSCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxy-3-nitrophenyl)propan-1-one (CAS 5129-46-4), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(4-hydroxy-3-nitrophenyl)propan-1-one.
Chemical Property Profile of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one
Property Insights of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxy-3-nitrophenyl)propan-1-one. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxy-3-nitrophenyl)propan-1-one. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3-nitrophenyl)propan-1-one 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-(4-Hydroxy-3-nitrophenyl)propan-1-one?
The CAS number of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one is 5129-46-4.
What is the molecular formula of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one?
The molecular formula of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one is C9H9NO4.
What is the molecular weight of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one?
The molecular weight of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one is 195.05 g/mol.
Where can I buy 1-(4-Hydroxy-3-nitrophenyl)propan-1-one?
You can request a quote for 1-(4-Hydroxy-3-nitrophenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-3-nitrophenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3-nitrophenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.