1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-
TL;DR: 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- (CAS 100567-95-1) is a chemical compound with molecular formula C18H13F6N3O and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol
Also Known As: ICI 176797, alpha,alpha-Bis(4-trifluoromethyl)-as-triazoleethanol, 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol, alpha,alpha-Bis(4-trifluoromethyl)phenyl-1H-1,2,4-triazole-1-ethanol, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-
| Molecular Formula | C18H13F6N3O |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.09628 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 100567-95-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)C(F)(F)F)O)C(F)(F)F |
| InChIKey | BHKONILQQLFTIH-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- (CAS 100567-95-1), with molecular formula C18H13F6N3O and molecular weight 401.10 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-
Property Insights of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-
The XLogP value of 3.9 indicates that 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- has 1 hydrogen bond donor(s) and 9 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 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-?
The CAS number of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- is 100567-95-1.
What is the molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-?
The molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- is C18H13F6N3O.
What is the molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-?
The molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- is 401.10 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-?
You can request a quote for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.