3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-
TL;DR: 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- (CAS 102129-14-6) is a chemical compound with molecular formula C17H12F12N2O2 and molecular weight 504.07 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-[[1-phenyl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-5-yl]methyl]propan-2-ol
Also Known As: 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-, 1-Phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-3,5-pyrazolediethanol, 3,5-Bis((2-hydroxy-3,3,3-trifluoro-2-trifluoromethyl)propyl)-1-phenyl pyrazole, 1,1'-(1-Phenyl-1H-pyrazole-3,5-diyl)bis[3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol], alpha,alpha,alpha ,alpha -Tetrakis(trifluoromethyl)-1-phenyl-1H-pyrazole-3,5-bisethanol
| Molecular Formula | C17H12F12N2O2 |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.0707 |
| Heavy Atoms | 33 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 102129-14-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | WJEFGRXHPTVCKZ-UHFFFAOYSA-N |
Product Overview
3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- (CAS 102129-14-6), with molecular formula C17H12F12N2O2 and molecular weight 504.07 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-[[1-phenyl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-5-yl]methyl]propan-2-ol.
Chemical Property Profile of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-
Property Insights of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-
The XLogP value of 5.3 indicates that 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-?
The CAS number of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- is 102129-14-6.
What is the molecular formula of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-?
The molecular formula of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- is C17H12F12N2O2.
What is the molecular weight of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-?
The molecular weight of 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- is 504.07 g/mol.
Where can I buy 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-?
You can request a quote for 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyrazolediethanol, 1-phenyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.