1-(2-Methoxyphenyl)-2-nitroethanone
TL;DR: 1-(2-Methoxyphenyl)-2-nitroethanone (CAS 46270-50-2) 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-(2-methoxyphenyl)-2-nitroethanone
Also Known As: 1-(2-methoxyphenyl)-2-nitroethanone, 1-(2-methoxyphenyl)-2-nitro-ethanone, 1-(2-Methoxyphenyl)-2-nitroethan-1-one, 2-Nitro-1-<2-methoxy-phenyl>-aethan-1-on, RefChem:223653
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 46270-50-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)C[N+](=O)[O-] |
| InChIKey | NYNFYXRJZOWTLI-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxyphenyl)-2-nitroethanone (CAS 46270-50-2), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(2-methoxyphenyl)-2-nitroethanone.
Chemical Property Profile of 1-(2-Methoxyphenyl)-2-nitroethanone
Property Insights of 1-(2-Methoxyphenyl)-2-nitroethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxyphenyl)-2-nitroethanone. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxyphenyl)-2-nitroethanone. Following Lipinski's Rule of Five, 1-(2-Methoxyphenyl)-2-nitroethanone has 0 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-(2-Methoxyphenyl)-2-nitroethanone?
The CAS number of 1-(2-Methoxyphenyl)-2-nitroethanone is 46270-50-2.
What is the molecular formula of 1-(2-Methoxyphenyl)-2-nitroethanone?
The molecular formula of 1-(2-Methoxyphenyl)-2-nitroethanone is C9H9NO4.
What is the molecular weight of 1-(2-Methoxyphenyl)-2-nitroethanone?
The molecular weight of 1-(2-Methoxyphenyl)-2-nitroethanone is 195.05 g/mol.
Where can I buy 1-(2-Methoxyphenyl)-2-nitroethanone?
You can request a quote for 1-(2-Methoxyphenyl)-2-nitroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxyphenyl)-2-nitroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyphenyl)-2-nitroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.