![5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole structure](/static/products/896/896068-67-0.png)
5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole
TL;DR: 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole (CAS 896068-67-0) is a chemical compound with molecular formula C17H15BrFN3S and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
Also Known As: 3-((4-bromobenzyl)thio)-4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazole, 5-[(4-bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole, 3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazole
| Molecular Formula | C17H15BrFN3S |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | 5.1589 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.0154 |
| Heavy Atoms | 23 |
| Complexity | 801.8531 |
Chemical Identifiers
| CAS Number | 896068-67-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3F |
Product Overview
5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole (CAS 896068-67-0), with molecular formula C17H15BrFN3S and molecular weight 391.02 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole.
Chemical Property Profile of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole
Property Insights of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole
The XLogP value of 5.1589 indicates that 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-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]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-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]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole?
The CAS number of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole is 896068-67-0.
What is the molecular formula of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole?
The molecular formula of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole is C17H15BrFN3S.
What is the molecular weight of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole?
The molecular weight of 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole is 391.02 g/mol.
Where can I buy 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole?
You can request a quote for 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-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]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Bromophenyl)methylthio]-4-ethyl-3-(2-fluorophenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.