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Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate
TL;DR: Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate (CAS 53913-91-0) is a chemical compound with molecular formula C13H15F3O3 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate
Also Known As: ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate
| Molecular Formula | C13H15F3O3 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.4259 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09732 |
| Heavy Atoms | 19 |
| Complexity | 452.69183 |
Chemical Identifiers
| CAS Number | 53913-91-0 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate (CAS 53913-91-0), with molecular formula C13H15F3O3 and molecular weight 276.10 g/mol. IUPAC: ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate.
Chemical Property Profile of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate
Property Insights of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate
The XLogP value of 3.4259 indicates that Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate 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 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate?
The CAS number of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate is 53913-91-0.
What is the molecular formula of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate?
The molecular formula of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate is C13H15F3O3.
What is the molecular weight of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate?
The molecular weight of Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate is 276.10 g/mol.
Where can I buy Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate?
You can request a quote for Ethyl 2-methyl-2-[3-(trifluoromethyl)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-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.