Ethyl 3-(4-fluorophenyl)-2-butenoate
TL;DR: Ethyl 3-(4-fluorophenyl)-2-butenoate (CAS 147471-19-0) is a chemical compound with molecular formula C12H13FO2 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)but-2-enoate
Also Known As: Ethyl 3-(4-fluorophenyl)-2-butenoate, ethyl 3-(4-fluorophenyl)but-2-enoate, ethyl (E)-3-(4-fluorophenyl)-2-butenoate, 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester
| Molecular Formula | C12H13FO2 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 2.7921 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.08995 |
| Heavy Atoms | 15 |
| Complexity | 365.71344 |
Chemical Identifiers
| CAS Number | 147471-19-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C1=CC=C(C=C1)F |
Product Overview
Ethyl 3-(4-fluorophenyl)-2-butenoate (CAS 147471-19-0), with molecular formula C12H13FO2 and molecular weight 208.09 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)but-2-enoate.
Chemical Property Profile of Ethyl 3-(4-fluorophenyl)-2-butenoate
Property Insights of Ethyl 3-(4-fluorophenyl)-2-butenoate
The XLogP value of 2.7921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-fluorophenyl)-2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(4-fluorophenyl)-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-fluorophenyl)-2-butenoate 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-fluorophenyl)-2-butenoate?
The CAS number of Ethyl 3-(4-fluorophenyl)-2-butenoate is 147471-19-0.
What is the molecular formula of Ethyl 3-(4-fluorophenyl)-2-butenoate?
The molecular formula of Ethyl 3-(4-fluorophenyl)-2-butenoate is C12H13FO2.
What is the molecular weight of Ethyl 3-(4-fluorophenyl)-2-butenoate?
The molecular weight of Ethyl 3-(4-fluorophenyl)-2-butenoate is 208.09 g/mol.
Where can I buy Ethyl 3-(4-fluorophenyl)-2-butenoate?
You can request a quote for Ethyl 3-(4-fluorophenyl)-2-butenoate 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-fluorophenyl)-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-fluorophenyl)-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.