3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole
TL;DR: 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole (CAS 3870-47-1) is a chemical compound with molecular formula C30H18F12O2 and molecular weight 638.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
Also Known As: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol, LABOTEST-BB LT00159874, 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole, 3,3',3'',3'''-TETRAKIS BENZOPINACOLE, Tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
| Molecular Formula | C30H18F12O2 |
|---|---|
| Molecular Weight | 638.11 g/mol |
| LogP | 8.9338 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 638.1115 |
| Heavy Atoms | 44 |
| Complexity | 1411.3285 |
Chemical Identifiers
| CAS Number | 3870-47-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C(C3=CC(=CC=C3)C(F)(F)F)(C4=CC(=CC=C4)C(F)(F)F)O)O |
Product Overview
3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole (CAS 3870-47-1), with molecular formula C30H18F12O2 and molecular weight 638.11 g/mol. IUPAC: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol.
Chemical Property Profile of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole
Property Insights of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole
The XLogP value of 8.9338 indicates that 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole?
The CAS number of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole is 3870-47-1.
What is the molecular formula of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole?
The molecular formula of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole is C30H18F12O2.
What is the molecular weight of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole?
The molecular weight of 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole is 638.11 g/mol.
Where can I buy 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole?
You can request a quote for 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole?
Yes, KEHONG BIO provides custom synthesis services for 3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.