Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate
TL;DR: Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate (CAS 38192-06-2) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoate
Also Known As: Ethyl 2-cyano-3-mesitylacrylate, BAS 00116220, Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate, J3.152.732E, Ethyl (2E)-2-cyano-3-mesityl-2-propenoate #
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 38192-06-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(C=C(C=C1C)C)C)/C#N |
| InChIKey | RJBWWXGYWGHFMC-MDWZMJQESA-N |
Product Overview
Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate (CAS 38192-06-2), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: ethyl (E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate
Property Insights of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate
The XLogP value of 3.5 indicates that Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate has 0 hydrogen bond donor(s) and 3 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 (E)-alpha-cyano-2,4,6-trimethylcinnamate?
The CAS number of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate is 38192-06-2.
What is the molecular formula of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate?
The molecular formula of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate is C15H17NO2.
What is the molecular weight of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate?
The molecular weight of Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate is 243.13 g/mol.
Where can I buy Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate?
You can request a quote for Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (E)-alpha-cyano-2,4,6-trimethylcinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.