![3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole structure](/static/products/3843/384352-80-1.webp)
3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
TL;DR: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole (CAS 384352-80-1) is a chemical compound with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
Also Known As: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole, 5-((4-bromobenzyl)thio)-3-ethyl-1H-1,2,4-triazole, 5-[(4-bromobenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole, AF-399/41111143, 5-[(4-bromobenzyl)thio]-3-ethyl-1H-1,2,4-triazole
| Molecular Formula | C11H12BrN3S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.4219 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.99353 |
| Heavy Atoms | 16 |
| Complexity | 452.50818 |
Chemical Identifiers
| CAS Number | 384352-80-1 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC2=CC=C(C=C2)Br |
Product Overview
3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole (CAS 384352-80-1), with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
Property Insights of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
The XLogP value of 3.4219 indicates that 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-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 41.57 Ų, 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole?
The CAS number of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole is 384352-80-1.
What is the molecular formula of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole?
The molecular formula of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole is C11H12BrN3S.
What is the molecular weight of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole?
The molecular weight of 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole is 296.99 g/mol.
Where can I buy 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole?
You can request a quote for 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-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-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.