4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
TL;DR: 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol (CAS 34844-08-1) is a chemical compound with molecular formula C12H12F6O2 and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Also Known As: NCI60_022085, 4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol, 1,3-BUTANEDIOL, 2-METHYL-1-PHENYL-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, alpha-((2-Hydroxy-1-methyl-3,3,3-trifluoro-2-trifluoromethyl)propyl)benzyl alcohol, Benzyl alcohol, alpha-(2-hydroxy-1-methyl-3,3,3-trifluoro-2-trifluoromethylpropyl)-
| Molecular Formula | C12H12F6O2 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.07416 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 34844-08-1 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | USWUWAGJWLNXBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol (CAS 34844-08-1), with molecular formula C12H12F6O2 and molecular weight 302.07 g/mol. IUPAC: 4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Property Insights of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
The XLogP value of 3.3 indicates that 4,4,4-Trifluoro-2-methyl-1-phenyl-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, 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol 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 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol?
The CAS number of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol is 34844-08-1.
What is the molecular formula of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol?
The molecular formula of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol is C12H12F6O2.
What is the molecular weight of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol?
The molecular weight of 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol is 302.07 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol?
You can request a quote for 4,4,4-Trifluoro-2-methyl-1-phenyl-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 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.