Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate (CAS 444064-49-7) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate
Also Known As: ethyl 2-nitrilo-3-(3-phenoxyphenyl)prop-2-enoate, ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate, ethyl (2E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoate
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.94898 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 714.6122 |
Chemical Identifiers
| CAS Number | 444064-49-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)OC2=CC=CC=C2)C#N |
Product Overview
Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate (CAS 444064-49-7), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate
The XLogP value of 3.94898 indicates that Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate 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-(3-phenoxyphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate is 444064-49-7.
What is the molecular formula of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate is C18H15NO3.
What is the molecular weight of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate is 293.11 g/mol.
Where can I buy Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(3-phenoxyphenyl)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-(3-phenoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(3-phenoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.