3-(4-Fluorophenyl)-2-butenoic acid ethyl ester
TL;DR: 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester (CAS 115621-54-0) is a chemical compound with molecular formula C12H13FO2 and molecular weight 208.08995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3-(4-fluorophenyl)but-2-enoate
Also Known As: ethyl 3-(4-fluorophenyl)but-2-enoate, ethyl (E)-3-(4-fluorophenyl)but-2-enoate, 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester, (E)-3-(4-Fluoro-phenyl)-but-2-enoic, ethyl (2E)-3-(4-fluorophenyl)but-2-enoate
Technical Specifications
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.08995 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.08995 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | CCOC(=O)/C=C(\C)/C1=CC=C(C=C1)F |
| InChIKey | ZGPVSBPPWZFTLU-CMDGGOBGSA-N |
Chemical Property Profile of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester
Property Insights of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester
The XLogP value of 3.3 indicates that 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester 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
What is the CAS number of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester?
The CAS number of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester is 115621-54-0.
What is the molecular formula of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester?
The molecular formula of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester is C12H13FO2.
What is the molecular weight of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester?
The molecular weight of 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester is 208.08995 g/mol.
Where can I buy 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester?
You can request a quote for 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(4-Fluorophenyl)-2-butenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.