Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate (CAS 116592-71-3) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
Also Known As: ethyl 4-benzyloxy-alpha-cyanocinnamate, ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.73568 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 712.52997 |
Chemical Identifiers
| CAS Number | 116592-71-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC=C2)C#N |
Product Overview
Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate (CAS 116592-71-3), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
The XLogP value of 3.73568 indicates that Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate is 116592-71-3.
What is the molecular formula of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate is C19H17NO3.
What is the molecular weight of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate is 307.12 g/mol.
Where can I buy Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.