![3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole structure](/static/products/848/848930-86-9.png)
3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole (CAS 848930-86-9) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 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-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-((4-bromobenzyl)thio)-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole, 1-{5-[(4-bromophenyl)methylthio]-4-ethyl(1,2,4-triazol-3-yl)}-2-methoxybenzene, 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole, 3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 5.0284 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 817.3861 |
Chemical Identifiers
| CAS Number | 848930-86-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3OC |
Product Overview
3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole (CAS 848930-86-9), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 5.0284 indicates that 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-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 39.94 Ų, 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-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]-4-ethyl-5-(2-methoxyphenyl)-4H-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-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is 848930-86-9.
What is the molecular formula of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is C18H18BrN3OS.
What is the molecular weight of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is 403.04 g/mol.
Where can I buy 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-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]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.