Ethyl 3-(4-methoxyphenyl)but-2-enoate
TL;DR: Ethyl 3-(4-methoxyphenyl)but-2-enoate (CAS 7706-82-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxyphenyl)but-2-enoate
Also Known As: ethyl 3-(4-methoxyphenyl)but-2-enoate, Ethyl 3-(4-methoxyphenyl)-2-butenoate, NCI60_006792, 2-Butenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, 2-Butenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)-
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 7706-82-3 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C1=CC=C(C=C1)OC |
| InChIKey | CFNFDUJWLXMVHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-methoxyphenyl)but-2-enoate (CAS 7706-82-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 3-(4-methoxyphenyl)but-2-enoate.
Chemical Property Profile of Ethyl 3-(4-methoxyphenyl)but-2-enoate
Property Insights of Ethyl 3-(4-methoxyphenyl)but-2-enoate
The XLogP value of 3.2 indicates that Ethyl 3-(4-methoxyphenyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 3-(4-methoxyphenyl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-methoxyphenyl)but-2-enoate 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 3-(4-methoxyphenyl)but-2-enoate?
The CAS number of Ethyl 3-(4-methoxyphenyl)but-2-enoate is 7706-82-3.
What is the molecular formula of Ethyl 3-(4-methoxyphenyl)but-2-enoate?
The molecular formula of Ethyl 3-(4-methoxyphenyl)but-2-enoate is C13H16O3.
What is the molecular weight of Ethyl 3-(4-methoxyphenyl)but-2-enoate?
The molecular weight of Ethyl 3-(4-methoxyphenyl)but-2-enoate is 220.11 g/mol.
Where can I buy Ethyl 3-(4-methoxyphenyl)but-2-enoate?
You can request a quote for Ethyl 3-(4-methoxyphenyl)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-methoxyphenyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-methoxyphenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.