![Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate structure](/static/products/4737/47375-13-3.webp)
Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
TL;DR: Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate (CAS 47375-13-3) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
Also Known As: diethyl 3,3'-(1,4-phenylene)bis(2-cyanoacrylate), diethyl 3,3'-benzene-1,4-diylbis(2-cyanoprop-2-enoate), ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl, ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 47375-13-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC)C#N |
| InChIKey | TUUWXQUTXGOUAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate (CAS 47375-13-3), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
Property Insights of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
The XLogP value of 3.0 indicates that Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate has 0 hydrogen bond donor(s) and 6 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-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate is 47375-13-3.
What is the molecular formula of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate is C18H16N2O4.
What is the molecular weight of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate is 324.11 g/mol.
Where can I buy Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate 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-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.