![3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole structure](/static/products/4061/406190-71-4.webp)
3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole
TL;DR: 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole (CAS 406190-71-4) is a chemical compound with molecular formula C22H18BrN3OS and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole
Also Known As: AL-281/40679218, 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole, 3-(benzylsulfanyl)-5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole, 3-(benzylthio)-5-((4-bromophenoxy)methyl)-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C22H18BrN3OS |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 5.9011 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0354 |
| Heavy Atoms | 28 |
| Complexity | 1020.85834 |
Chemical Identifiers
| CAS Number | 406190-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br |
Product Overview
3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole (CAS 406190-71-4), with molecular formula C22H18BrN3OS and molecular weight 451.04 g/mol. IUPAC: 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole
Property Insights of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole
The XLogP value of 5.9011 indicates that 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-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 39.94 Ų, 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole?
The CAS number of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole is 406190-71-4.
What is the molecular formula of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole?
The molecular formula of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole is C22H18BrN3OS.
What is the molecular weight of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole?
The molecular weight of 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole is 451.04 g/mol.
Where can I buy 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole?
You can request a quote for 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-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 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.