Ethyl 3-(4-nitrophenyl)-2-propenoate
TL;DR: Ethyl 3-(4-nitrophenyl)-2-propenoate (CAS 953-26-4) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 4-nitrocinnamate, Ethyl 3-(4-nitrophenyl)acrylate, Ethyl p-nitrocinnamate, p-Nitrozimtsaureathylester, ETHYL4-NITROCINNAMATE
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 953-26-4 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PFBQVGXIMLXCQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-nitrophenyl)-2-propenoate (CAS 953-26-4), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(4-nitrophenyl)-2-propenoate
Property Insights of Ethyl 3-(4-nitrophenyl)-2-propenoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-nitrophenyl)-2-propenoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-nitrophenyl)-2-propenoate. Following Lipinski's Rule of Five, Ethyl 3-(4-nitrophenyl)-2-propenoate 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 3-(4-nitrophenyl)-2-propenoate?
The CAS number of Ethyl 3-(4-nitrophenyl)-2-propenoate is 953-26-4.
What is the molecular formula of Ethyl 3-(4-nitrophenyl)-2-propenoate?
The molecular formula of Ethyl 3-(4-nitrophenyl)-2-propenoate is C11H11NO4.
What is the molecular weight of Ethyl 3-(4-nitrophenyl)-2-propenoate?
The molecular weight of Ethyl 3-(4-nitrophenyl)-2-propenoate is 221.07 g/mol.
Where can I buy Ethyl 3-(4-nitrophenyl)-2-propenoate?
You can request a quote for Ethyl 3-(4-nitrophenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-nitrophenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-nitrophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.