Ethyl 2-cyano-3-(4-nitrophenyl)acrylate
TL;DR: Ethyl 2-cyano-3-(4-nitrophenyl)acrylate (CAS 2286-33-1) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(4-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 2-cyano-3-(4-nitrophenyl)acrylate, ethylcyanonitrophenylacrylate, ethyl (E)-2-cyano-3-(4-nitrophenyl)prop-2-enoate, Ethyl -2-cyano-3- -2-propenoate, 6808AD
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 2286-33-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C#N |
| InChIKey | YVACJZRCOWZWPY-JXMROGBWSA-N |
Product Overview
Ethyl 2-cyano-3-(4-nitrophenyl)acrylate (CAS 2286-33-1), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: ethyl (E)-2-cyano-3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate
Property Insights of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(4-nitrophenyl)acrylate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(4-nitrophenyl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(4-nitrophenyl)acrylate has 0 hydrogen bond donor(s) and 5 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-cyano-3-(4-nitrophenyl)acrylate?
The CAS number of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate is 2286-33-1.
What is the molecular formula of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate?
The molecular formula of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate is C12H10N2O4.
What is the molecular weight of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate?
The molecular weight of Ethyl 2-cyano-3-(4-nitrophenyl)acrylate is 246.06 g/mol.
Where can I buy Ethyl 2-cyano-3-(4-nitrophenyl)acrylate?
You can request a quote for Ethyl 2-cyano-3-(4-nitrophenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(4-nitrophenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(4-nitrophenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.