![5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole structure](/static/products/853/853191-61-4.png)
5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole
TL;DR: 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole (CAS 853191-61-4) is a chemical compound with molecular formula C21H15BrFN3S and molecular weight 439.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole, 3-((4-bromobenzyl)thio)-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole, 5-[(4-bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole, 3-{[(4-BROMOPHENYL)METHYL]SULFANYL}-5-(2-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C21H15BrFN3S |
|---|---|
| Molecular Weight | 439.02 g/mol |
| LogP | 6.1282 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0154 |
| Heavy Atoms | 27 |
| Complexity | 1048.732 |
Chemical Identifiers
| CAS Number | 853191-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4F |
Product Overview
5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole (CAS 853191-61-4), with molecular formula C21H15BrFN3S and molecular weight 439.02 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole
Property Insights of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole
The XLogP value of 6.1282 indicates that 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-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, 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The CAS number of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole is 853191-61-4.
What is the molecular formula of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The molecular formula of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole is C21H15BrFN3S.
What is the molecular weight of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The molecular weight of 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole is 439.02 g/mol.
Where can I buy 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole?
You can request a quote for 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-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 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Bromophenyl)methylthio]-3-(2-fluorophenyl)-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.