Ethyl-m-nitrocinnamate
TL;DR: Ethyl-m-nitrocinnamate (CAS 5396-71-4) 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-(3-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 3-nitrocinnamate, Ethyl 3-nitrocinnamicacid, Ethyl-m-nitrocinnamate, ethyl m-nitrocinnamate, Ethyl 3-(3-nitrophenyl)acrylate
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.2 |
| 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 | 282.0 |
Chemical Identifiers
| CAS Number | 5396-71-4 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | QZEPRSLOWNHADS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-m-nitrocinnamate (CAS 5396-71-4), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: ethyl 3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl-m-nitrocinnamate
Property Insights of Ethyl-m-nitrocinnamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-m-nitrocinnamate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-m-nitrocinnamate. Following Lipinski's Rule of Five, Ethyl-m-nitrocinnamate 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-m-nitrocinnamate?
The CAS number of Ethyl-m-nitrocinnamate is 5396-71-4.
What is the molecular formula of Ethyl-m-nitrocinnamate?
The molecular formula of Ethyl-m-nitrocinnamate is C11H11NO4.
What is the molecular weight of Ethyl-m-nitrocinnamate?
The molecular weight of Ethyl-m-nitrocinnamate is 221.07 g/mol.
Where can I buy Ethyl-m-nitrocinnamate?
You can request a quote for Ethyl-m-nitrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-m-nitrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-m-nitrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.