1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one
TL;DR: 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one (CAS 102877-53-2) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-4-methoxy-5-nitrophenyl)ethanone
Also Known As: 1-(2-hydroxy-4-methoxy-5-nitrophenyl)ethanone, 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one, Ethanone, 1-(2-hydroxy-4-methoxy-5-nitrophenyl)-, 2-Acetyl-4-nitro-5-methoxyphenol, 1-(2-hydroxy-4-methoxy-5-nitro-phenyl)ethanone
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.5116 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 426.75604 |
Chemical Identifiers
| CAS Number | 102877-53-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1O)OC)[N+](=O)[O-] |
Product Overview
1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one (CAS 102877-53-2), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 1-(2-hydroxy-4-methoxy-5-nitrophenyl)ethanone.
Chemical Property Profile of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one
Property Insights of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one
The XLogP value of 1.5116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one has 1 hydrogen bond donor(s) and 5 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-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one?
The CAS number of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one is 102877-53-2.
What is the molecular formula of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one?
The molecular formula of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one is C9H9NO5.
What is the molecular weight of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one?
The molecular weight of 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one is 211.05 g/mol.
Where can I buy 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one?
You can request a quote for 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-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-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.