2-Methoxy-1-(4-nitrophenyl)ethan-1-one
TL;DR: 2-Methoxy-1-(4-nitrophenyl)ethan-1-one (CAS 7714-12-7) 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.
2-methoxy-1-(4-nitrophenyl)ethanone
Also Known As: 2-methoxy-1-(4-nitrophenyl)ethanone, 2-Methoxy-1-(4-nitrophenyl)ethan-1-one, alpha-Methoxy-4 -nitroacetophenone, J2.444.511I
| 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 | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 7714-12-7 |
|---|---|
| SMILES | COCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NBQWEHBTMYDAID-UHFFFAOYSA-N |
Product Overview
2-Methoxy-1-(4-nitrophenyl)ethan-1-one (CAS 7714-12-7), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-methoxy-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one
Property Insights of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1-(4-nitrophenyl)ethan-1-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-1-(4-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-Methoxy-1-(4-nitrophenyl)ethan-1-one 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 2-Methoxy-1-(4-nitrophenyl)ethan-1-one?
The CAS number of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one is 7714-12-7.
What is the molecular formula of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one?
The molecular formula of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one is C9H9NO4.
What is the molecular weight of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one?
The molecular weight of 2-Methoxy-1-(4-nitrophenyl)ethan-1-one is 195.05 g/mol.
Where can I buy 2-Methoxy-1-(4-nitrophenyl)ethan-1-one?
You can request a quote for 2-Methoxy-1-(4-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 2-Methoxy-1-(4-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1-(4-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.