1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-
TL;DR: 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- (CAS 100567-99-5) is a chemical compound with molecular formula C16H13BrFN3O and molecular weight 361.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Also Known As: ICI 157490, 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-, 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol, 1H-1,2,4-Triazole-1-ethanol,, A-(2-bromophenyl)-
| Molecular Formula | C16H13BrFN3O |
|---|---|
| Molecular Weight | 361.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0226 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 100567-99-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)Br |
| InChIKey | HVACBJWCQNQRSK-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- (CAS 100567-99-5), with molecular formula C16H13BrFN3O and molecular weight 361.02 g/mol. IUPAC: 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-
Property Insights of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- has 1 hydrogen bond donor(s) and 4 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-(2-bromophenyl)-alpha-(4-fluorophenyl)-?
The CAS number of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- is 100567-99-5.
What is the molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-?
The molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- is C16H13BrFN3O.
What is the molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-?
The molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- is 361.02 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)-?
You can request a quote for 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- 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-(2-bromophenyl)-alpha-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-ethanol, alpha-(2-bromophenyl)-alpha-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.