Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate
TL;DR: Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate (CAS 31701-09-4) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate
Also Known As: ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate, ethyl alpha-cyano-beta-(2-furyl)hydrocinnamate
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.11438 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 583.93945 |
Chemical Identifiers
| CAS Number | 31701-09-4 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC=CO2 |
Product Overview
Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate (CAS 31701-09-4), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate
Property Insights of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate
The XLogP value of 3.11438 indicates that Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate 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 2-cyano-3-(furan-2-yl)-3-phenylpropanoate?
The CAS number of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate is 31701-09-4.
What is the molecular formula of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate?
The molecular formula of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate is C16H15NO3.
What is the molecular weight of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate?
The molecular weight of Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate is 269.11 g/mol.
Where can I buy Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate?
You can request a quote for Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate 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-(furan-2-yl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(furan-2-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.