1-(4-Methoxy-3-nitrophenyl)ethanone
TL;DR: 1-(4-Methoxy-3-nitrophenyl)ethanone (CAS 6277-38-9) 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-methoxy-3-nitrophenyl)ethanone
Also Known As: 1-(4-methoxy-3-nitrophenyl)ethanone, 4-METHOXY-3-NITROACETOPHENONE, 4'-Methoxy-3'-nitroacetophenone, 1-(4-Methoxy-3-nitrophenyl)ethan-1-one, 4-Acetyl-2-nitroanisole
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 6277-38-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | VXLKYQQBEPCMJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxy-3-nitrophenyl)ethanone (CAS 6277-38-9), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(4-methoxy-3-nitrophenyl)ethanone.
Chemical Property Profile of 1-(4-Methoxy-3-nitrophenyl)ethanone
Property Insights of 1-(4-Methoxy-3-nitrophenyl)ethanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxy-3-nitrophenyl)ethanone. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxy-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-Methoxy-3-nitrophenyl)ethanone 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-Methoxy-3-nitrophenyl)ethanone?
The CAS number of 1-(4-Methoxy-3-nitrophenyl)ethanone is 6277-38-9.
What is the molecular formula of 1-(4-Methoxy-3-nitrophenyl)ethanone?
The molecular formula of 1-(4-Methoxy-3-nitrophenyl)ethanone is C9H9NO4.
What is the molecular weight of 1-(4-Methoxy-3-nitrophenyl)ethanone?
The molecular weight of 1-(4-Methoxy-3-nitrophenyl)ethanone is 195.05 g/mol.
Where can I buy 1-(4-Methoxy-3-nitrophenyl)ethanone?
You can request a quote for 1-(4-Methoxy-3-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-(4-Methoxy-3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxy-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.