1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
TL;DR: 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- (CAS 34848-28-7) is a chemical compound with molecular formula C13H14F6O2 and molecular weight 316.09 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-phenyl-3-(trifluoromethyl)butane-1,3-diol
Also Known As: 1,3-BUTANEDIOL, 2-ETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)-4,4,4-TRIFLUORO-, 2-Ethyl-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol, 2-ethyl-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol, C(O)(C(CC)C(O)c1ccccc1)(C(F)(F)F)C(F)(F)F, 2-ethyl-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1
| Molecular Formula | C13H14F6O2 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0898 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 34848-28-7 |
|---|---|
| SMILES | CCC(C(C1=CC=CC=C1)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | BBYCIRCWUHSTIC-UHFFFAOYSA-N |
Product Overview
1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- (CAS 34848-28-7), with molecular formula C13H14F6O2 and molecular weight 316.09 g/mol. IUPAC: 2-ethyl-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
Property Insights of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
The XLogP value of 3.6 indicates that 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- has 2 hydrogen bond donor(s) and 8 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 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-?
The CAS number of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- is 34848-28-7.
What is the molecular formula of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-?
The molecular formula of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- is C13H14F6O2.
What is the molecular weight of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-?
The molecular weight of 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- is 316.09 g/mol.
Where can I buy 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-?
You can request a quote for 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.