2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
TL;DR: 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol (CAS 34848-33-4) is a chemical compound with molecular formula C13H13F7O2 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
Also Known As: 1,3-BUTANEDIOL, 2-ETHYL-1-(p-FLUOROPHENYL)-3-TRIFLUOROMETHYL-4,4,4-TRIFLUORO-, 2-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol, 2-Ethyl-1-(4-fluorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol, C(O)(C(CC)C(O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F, 2-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethy
| Molecular Formula | C13H13F7O2 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.08038 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 34848-33-4 |
|---|---|
| SMILES | CCC(C(C1=CC=C(C=C1)F)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | KUQJCEHGLUERBM-UHFFFAOYSA-N |
Product Overview
2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol (CAS 34848-33-4), with molecular formula C13H13F7O2 and molecular weight 334.08 g/mol. IUPAC: 2-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
Property Insights of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
The XLogP value of 3.7 indicates that 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol has 2 hydrogen bond donor(s) and 9 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 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The CAS number of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol is 34848-33-4.
What is the molecular formula of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular formula of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol is C13H13F7O2.
What is the molecular weight of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular weight of 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol is 334.08 g/mol.
Where can I buy 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol?
You can request a quote for 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.