1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-
TL;DR: 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- (CAS 100567-91-7) is a chemical compound with molecular formula C16H11F4N3O and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Also Known As: ICI 178805, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-, 1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol, 1H-1,2,4-Triazole-1-ethanol,a,a-bis(2,4-difluorophenyl), 2-[3,5-bis(2,4-difluorophenyl)-1,2,4-triazol-1-yl]ethanol
| Molecular Formula | C16H11F4N3O |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.08383 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 100567-91-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O |
| InChIKey | LVQBJQDAJJCJIZ-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- (CAS 100567-91-7), with molecular formula C16H11F4N3O and molecular weight 337.08 g/mol. IUPAC: 1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-
Property Insights of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- 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(2,4-difluorophenyl)- has 1 hydrogen bond donor(s) and 7 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(2,4-difluorophenyl)-?
The CAS number of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- is 100567-91-7.
What is the molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-?
The molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- is C16H11F4N3O.
What is the molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-?
The molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- is 337.08 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)-?
You can request a quote for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- 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(2,4-difluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(2,4-difluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.