2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate
TL;DR: 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate (CAS 80854-07-5) is a chemical compound with molecular formula C26H25F3O4 and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate
Also Known As: 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate, Benzoic acid, 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-, 2,2,2-trifluoroethylester, 3-Phenoxybenzyl 2-(4-(2,2,2-trifluoroethoxycarbonyl)phenyl)-2-methylpropyl ether, 2,2,2-trifluoroethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate, 2,2,2-Trifluoroethyl 4-{2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl}benzoate
| Molecular Formula | C26H25F3O4 |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 6.6924 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.1705 |
| Heavy Atoms | 33 |
| Complexity | 1045.1371 |
Chemical Identifiers
| CAS Number | 80854-07-5 |
|---|---|
| SMILES | CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate (CAS 80854-07-5), with molecular formula C26H25F3O4 and molecular weight 458.17 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate
Property Insights of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate
The XLogP value of 6.6924 indicates that 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate?
The CAS number of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate is 80854-07-5.
What is the molecular formula of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate?
The molecular formula of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate is C26H25F3O4.
What is the molecular weight of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate?
The molecular weight of 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate is 458.17 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate?
You can request a quote for 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.