3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879438-68-3) is a chemical compound with molecular formula C13H13BrN6S and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine
Also Known As: 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromobenzyl)sulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine, 5-[(4-bromophenyl)methylthio]-3-(3-methylpyrazol-5-yl)-1,2,4-triazole-4-ylamin e
| Molecular Formula | C13H13BrN6S |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 2.74522 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0106 |
| Heavy Atoms | 21 |
| Complexity | 748.3697 |
Chemical Identifiers
| CAS Number | 879438-68-3 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br |
Product Overview
3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879438-68-3), with molecular formula C13H13BrN6S and molecular weight 364.01 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.74522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine has 2 hydrogen bond donor(s) and 5 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-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 879438-68-3.
What is the molecular formula of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is C13H13BrN6S.
What is the molecular weight of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 364.01 g/mol.
Where can I buy 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine 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)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-bromobenzyl)thio)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.