1-(4-Methoxyphenyl)-2-nitroethanone
TL;DR: 1-(4-Methoxyphenyl)-2-nitroethanone (CAS 46318-58-5) 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-methoxyphenyl)-2-nitroethanone
Also Known As: 1-(4-methoxyphenyl)-2-nitroethanone, 1-(4-METHOXYPHENYL)-2-NITROETHAN-1-ONE, 4 -Methoxy-alpha-nitroacetophenone, alpha-Nitro-4 -methoxyacetophenone, 1-(4-METHOXYPHENYL)-2-NITRO-1-ETHANONE
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.7 |
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 46318-58-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C[N+](=O)[O-] |
| InChIKey | KOQPBLSLOXRDCQ-UHFFFAOYSA-N |
Product Overview
1-(4-Methoxyphenyl)-2-nitroethanone (CAS 46318-58-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-nitroethanone.
Chemical Property Profile of 1-(4-Methoxyphenyl)-2-nitroethanone
Property Insights of 1-(4-Methoxyphenyl)-2-nitroethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-2-nitroethanone. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)-2-nitroethanone. Following Lipinski's Rule of Five, 1-(4-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-(4-Methoxyphenyl)-2-nitroethanone?
The CAS number of 1-(4-Methoxyphenyl)-2-nitroethanone is 46318-58-5.
What is the molecular formula of 1-(4-Methoxyphenyl)-2-nitroethanone?
The molecular formula of 1-(4-Methoxyphenyl)-2-nitroethanone is C9H9NO4.
What is the molecular weight of 1-(4-Methoxyphenyl)-2-nitroethanone?
The molecular weight of 1-(4-Methoxyphenyl)-2-nitroethanone is 195.05 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-2-nitroethanone?
You can request a quote for 1-(4-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-(4-Methoxyphenyl)-2-nitroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-2-nitroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.