alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
TL;DR: alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol (CAS 802-93-7) is a chemical compound with molecular formula C12H6F12O2 and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
Also Known As: 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene, 1,3-Bis(hexafluoro-alpha-hydroxyisopropyl)benzene, 1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-, 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol, 1,3-Bis(hexafluoro-2-hydroxyisopropyl)benzene
| Molecular Formula | C12H6F12O2 |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.0176 |
| Heavy Atoms | 26 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 802-93-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | PGUIOHNOYADLMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol (CAS 802-93-7), with molecular formula C12H6F12O2 and molecular weight 410.02 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol.
Chemical Property Profile of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
Property Insights of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
The XLogP value of 4.6 indicates that alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol?
The CAS number of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol is 802-93-7.
What is the molecular formula of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol?
The molecular formula of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol is C12H6F12O2.
What is the molecular weight of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol?
The molecular weight of alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol is 410.02 g/mol.
Where can I buy alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol?
You can request a quote for alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.