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Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate
TL;DR: Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate (CAS 73468-58-3) is a chemical compound with molecular formula C20H19F3O4 and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
Also Known As: Difenopenten-ethyl, ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate, Ethyl (2E)-4-{4-[4-(trifluoromethyl)phenoxy]phenoxy}pent-2-enoate, 2-Pentenoic acid, 4-(4-(4-(trifluoromethyl)phenoxy)phenoxy)-, ethyl ester
| Molecular Formula | C20H19F3O4 |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.12354 |
| Heavy Atoms | 27 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 73468-58-3 |
|---|---|
| SMILES | CCOC(=O)C=CC(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | NEHGWVYDSJWTJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate (CAS 73468-58-3), with molecular formula C20H19F3O4 and molecular weight 380.12 g/mol. IUPAC: ethyl 4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate.
Chemical Property Profile of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate
Property Insights of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate
The XLogP value of 5.2 indicates that Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate?
The CAS number of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate is 73468-58-3.
What is the molecular formula of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate?
The molecular formula of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate is C20H19F3O4.
What is the molecular weight of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate?
The molecular weight of Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate is 380.12 g/mol.
Where can I buy Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate?
You can request a quote for Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-2-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.