Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate
TL;DR: Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate (CAS 71307-18-1) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-1-(3-nitrophenyl)-2-oxoethyl] benzoate
Also Known As: 2-ethoxy-1-(3-nitrophenyl)-2-oxoethyl benzoate, [2-ethoxy-1-(3-nitrophenyl)-2-oxoethyl] benzoate, ETHYL 2-(3-NITROPHENYL)-2-BENZOYLOXYACETATE, Benzoyloxy-(3-nitro-phenyl)-essigsaeure-aethylester, 665-403-1
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 71307-18-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2 |
| InChIKey | ZZNZQUPMZTXGNV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate (CAS 71307-18-1), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: [2-ethoxy-1-(3-nitrophenyl)-2-oxoethyl] benzoate.
Chemical Property Profile of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate
Property Insights of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate
The XLogP value of 3.6 indicates that Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate. Following Lipinski's Rule of Five, Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate has 0 hydrogen bond donor(s) and 6 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 Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate?
The CAS number of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate is 71307-18-1.
What is the molecular formula of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate?
The molecular formula of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate is C17H15NO6.
What is the molecular weight of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate?
The molecular weight of Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate is 329.09 g/mol.
Where can I buy Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate?
You can request a quote for Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.