Ethyl 3-(4-methylphenyl)but-2-enoate
TL;DR: Ethyl 3-(4-methylphenyl)but-2-enoate (CAS 94853-53-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)but-2-enoate
Also Known As: ethyl 3-(4-methylphenyl)but-2-enoate, ethyl (Z)-3-(4-methylphenyl)but-2-enoate, beta,4-Dimethyl-cis-cinnamic acid ethyl ester, 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 94853-53-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C1=CC=C(C=C1)C |
| InChIKey | WVWVJVVXPXGLTC-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-methylphenyl)but-2-enoate (CAS 94853-53-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl 3-(4-methylphenyl)but-2-enoate.
Chemical Property Profile of Ethyl 3-(4-methylphenyl)but-2-enoate
Property Insights of Ethyl 3-(4-methylphenyl)but-2-enoate
The XLogP value of 3.6 indicates that Ethyl 3-(4-methylphenyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(4-methylphenyl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-methylphenyl)but-2-enoate has 0 hydrogen bond donor(s) and 2 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 3-(4-methylphenyl)but-2-enoate?
The CAS number of Ethyl 3-(4-methylphenyl)but-2-enoate is 94853-53-9.
What is the molecular formula of Ethyl 3-(4-methylphenyl)but-2-enoate?
The molecular formula of Ethyl 3-(4-methylphenyl)but-2-enoate is C13H16O2.
What is the molecular weight of Ethyl 3-(4-methylphenyl)but-2-enoate?
The molecular weight of Ethyl 3-(4-methylphenyl)but-2-enoate is 204.12 g/mol.
Where can I buy Ethyl 3-(4-methylphenyl)but-2-enoate?
You can request a quote for Ethyl 3-(4-methylphenyl)but-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 3-(4-methylphenyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-methylphenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.