![3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole structure](/static/products/7579/757944-10-8.webp)
3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole
TL;DR: 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole (CAS 757944-10-8) is a chemical compound with molecular formula C21H24BrN3O2S and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole
Also Known As: 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole
| Molecular Formula | C21H24BrN3O2S |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 5.63892 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.07727 |
| Heavy Atoms | 28 |
| Complexity | 912.5142 |
Chemical Identifiers
| CAS Number | 757944-10-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=C(C=C(C=C3)C)OCC |
Product Overview
3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole (CAS 757944-10-8), with molecular formula C21H24BrN3O2S and molecular weight 461.08 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole.
Chemical Property Profile of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole
Property Insights of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole
The XLogP value of 5.63892 indicates that 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-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 49.17 Ų, 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole?
The CAS number of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole is 757944-10-8.
What is the molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole?
The molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole is C21H24BrN3O2S.
What is the molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole?
The molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole is 461.08 g/mol.
Where can I buy 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole?
You can request a quote for 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-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-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.