4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 861122-60-3) is a chemical compound with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole, 1-{5-[(4-bromophenyl)methylthio]-4-prop-2-enyl(1,2,4-triazol-3-yl)}-3-methoxyb enzene, 3-[(4-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole, 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C19H18BrN3OS |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 5.1945 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0354 |
| Heavy Atoms | 25 |
| Complexity | 861.3607 |
Chemical Identifiers
| CAS Number | 861122-60-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br |
Product Overview
4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 861122-60-3), with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 5.1945 indicates that 4-allyl-3-((4-bromobenzyl)thio)-5-(3-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, 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-3-((4-bromobenzyl)thio)-5-(3-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 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 861122-60-3.
What is the molecular formula of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is C19H18BrN3OS.
What is the molecular weight of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 415.04 g/mol.
Where can I buy 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 4-allyl-3-((4-bromobenzyl)thio)-5-(3-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 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-3-((4-bromobenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.