2-(4-Nitrophenyl)-2-oxoethyl benzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl benzoate (CAS 55153-34-9) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] benzoate
Also Known As: 2-(4-Nitrophenyl)-2-oxoethyl benzoate, Benzoicacid2-oxo-2- ethylester, Benzoic acid 4-nitrophenacyl ester, Ethanone, 2-(benzoyloxy)-1-(4-nitrophenyl)-, Benzoic acid 2-oxo-2-(4-nitrophenyl)ethyl ester
| Molecular Formula | C15H11NO5 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.06372 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 55153-34-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | REQZMESHGQWDTF-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl benzoate (CAS 55153-34-9), with molecular formula C15H11NO5 and molecular weight 285.06 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl benzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl benzoate
The XLogP value of 3.0 indicates that 2-(4-Nitrophenyl)-2-oxoethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl benzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl benzoate 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-(4-Nitrophenyl)-2-oxoethyl benzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl benzoate is 55153-34-9.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl benzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl benzoate is C15H11NO5.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl benzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl benzoate is 285.06 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl benzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-oxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.