2-(2-Nitrophenyl)-2-oxoethyl acetate
TL;DR: 2-(2-Nitrophenyl)-2-oxoethyl acetate (CAS 93663-32-2) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitrophenyl)-2-oxoethyl] acetate
Also Known As: 2-(2-Nitrophenyl)-2-oxoethyl acetate, [2-(2-nitrophenyl)-2-oxoethyl] acetate, 2-(2-Nitrophenyl)-2-oxoethyl acetate #, Ethanone, 2-acetoxy-1-(2-nitrophenyl)-, Ethanone, 2-(acetyloxy)-1-(2-nitrophenyl)-
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 93663-32-2 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | RSPDFTOYBUUVST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitrophenyl)-2-oxoethyl acetate (CAS 93663-32-2), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: [2-(2-nitrophenyl)-2-oxoethyl] acetate.
Chemical Property Profile of 2-(2-Nitrophenyl)-2-oxoethyl acetate
Property Insights of 2-(2-Nitrophenyl)-2-oxoethyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrophenyl)-2-oxoethyl acetate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)-2-oxoethyl acetate. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)-2-oxoethyl acetate has 0 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 2-(2-Nitrophenyl)-2-oxoethyl acetate?
The CAS number of 2-(2-Nitrophenyl)-2-oxoethyl acetate is 93663-32-2.
What is the molecular formula of 2-(2-Nitrophenyl)-2-oxoethyl acetate?
The molecular formula of 2-(2-Nitrophenyl)-2-oxoethyl acetate is C10H9NO5.
What is the molecular weight of 2-(2-Nitrophenyl)-2-oxoethyl acetate?
The molecular weight of 2-(2-Nitrophenyl)-2-oxoethyl acetate is 223.05 g/mol.
Where can I buy 2-(2-Nitrophenyl)-2-oxoethyl acetate?
You can request a quote for 2-(2-Nitrophenyl)-2-oxoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)-2-oxoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)-2-oxoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.