Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate (CAS 3293-92-3) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate, ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-eno, ethyl 2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate, Ethyl (2E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propenoate
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 3293-92-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C#N |
| InChIKey | YLVBXXCJZDMLMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate (CAS 3293-92-3), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
The XLogP value of 5.5 indicates that Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate is 3293-92-3.
What is the molecular formula of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate is C20H27NO3.
What is the molecular weight of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate is 329.20 g/mol.
Where can I buy Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)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-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.