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Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
TL;DR: Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate (CAS 58594-73-3) is a chemical compound with molecular formula C18H17F3O4 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
Also Known As: ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate, Ethyl alpha-[4-(4-Trifluoromethylphenoxy)phenoxy]propionate, ethyl, A-[4-(4-Trifluoromethylphenoxy)phenoxy]-propionate, Ethyl 2-(4-(4-(trifluoromethyl)phenoxy)phenoxy)propanoate
| Molecular Formula | C18H17F3O4 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.10788 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 58594-73-3 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | FEMOFHMHEFIHKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate (CAS 58594-73-3), with molecular formula C18H17F3O4 and molecular weight 354.11 g/mol. IUPAC: ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate.
Chemical Property Profile of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
Property Insights of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
The XLogP value of 5.0 indicates that Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate 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 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate has 0 hydrogen bond donor(s) and 7 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 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate?
The CAS number of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate is 58594-73-3.
What is the molecular formula of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate?
The molecular formula of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate is C18H17F3O4.
What is the molecular weight of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate?
The molecular weight of Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate is 354.11 g/mol.
Where can I buy Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate?
You can request a quote for Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.