Ethyl 4-nitrophenylacetate
TL;DR: Ethyl 4-nitrophenylacetate (CAS 5445-26-1) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-nitrophenyl)acetate
Also Known As: Ethyl 4-nitrophenylacetate, ethyl 2-(4-nitrophenyl)acetate, Ethyl (4-nitrophenyl)acetate, Ethyl p-nitrophenylacetate, Ethyl 4-nitrobenzeneacetate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5445-26-1 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DWDRNKYLWMKWTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-nitrophenylacetate (CAS 5445-26-1), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: ethyl 2-(4-nitrophenyl)acetate.
Chemical Property Profile of Ethyl 4-nitrophenylacetate
Property Insights of Ethyl 4-nitrophenylacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenylacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenylacetate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenylacetate 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 Ethyl 4-nitrophenylacetate?
The CAS number of Ethyl 4-nitrophenylacetate is 5445-26-1.
What is the molecular formula of Ethyl 4-nitrophenylacetate?
The molecular formula of Ethyl 4-nitrophenylacetate is C10H11NO4.
What is the molecular weight of Ethyl 4-nitrophenylacetate?
The molecular weight of Ethyl 4-nitrophenylacetate is 209.07 g/mol.
Where can I buy Ethyl 4-nitrophenylacetate?
You can request a quote for Ethyl 4-nitrophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.