Ethyl 3-nitrocinnamate
TL;DR: Ethyl 3-nitrocinnamate (CAS 5396-82-7) 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 (E)-3-(3-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 3-nitrocinnamate, Ethyl 3-(3-nitrophenyl)acrylate, (E)-ethyl 3-(3-nitrophenyl)acrylate, Ethyl 3-nitrocinnamicacid, 3-Nitrocinnamic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.1711 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 425.74768 |
Chemical Identifiers
| CAS Number | 5396-82-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Ethyl 3-nitrocinnamate (CAS 5396-82-7), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: ethyl (E)-3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-nitrocinnamate
Property Insights of Ethyl 3-nitrocinnamate
The XLogP value of 2.1711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-nitrocinnamate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-nitrocinnamate. Following Lipinski's Rule of Five, Ethyl 3-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 3-nitrocinnamate?
The CAS number of Ethyl 3-nitrocinnamate is 5396-82-7.
What is the molecular formula of Ethyl 3-nitrocinnamate?
The molecular formula of Ethyl 3-nitrocinnamate is C11H11NO4.
What is the molecular weight of Ethyl 3-nitrocinnamate?
The molecular weight of Ethyl 3-nitrocinnamate is 221.07 g/mol.
Where can I buy Ethyl 3-nitrocinnamate?
You can request a quote for Ethyl 3-nitrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-nitrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-nitrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.