1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole
TL;DR: 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole (CAS 332916-11-7) is a chemical compound with molecular formula C21H15ClFN3 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
Also Known As: BAS 01843222, 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole, 1-(2-Chloro-6-fluoro-benzyl)-3,5-diphenyl-1H-[1,2,4]triazole, 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole, 1-[(6-chloro-2-fluorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
| Molecular Formula | C21H15ClFN3 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 5.4529 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.09384 |
| Heavy Atoms | 26 |
| Complexity | 1009.57776 |
Chemical Identifiers
| CAS Number | 332916-11-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F |
Product Overview
1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole (CAS 332916-11-7), with molecular formula C21H15ClFN3 and molecular weight 363.09 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole.
Chemical Property Profile of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole
Property Insights of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole
The XLogP value of 5.4529 indicates that 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole?
The CAS number of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole is 332916-11-7.
What is the molecular formula of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole?
The molecular formula of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole is C21H15ClFN3.
What is the molecular weight of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole?
The molecular weight of 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole is 363.09 g/mol.
Where can I buy 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole?
You can request a quote for 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-6-fluorobenzyl)-3,5-diphenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.