3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879466-30-5) is a chemical compound with molecular formula C18H15BrN6S and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine
Also Known As: 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromobenzyl)sulfanyl]-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-4-amine, 5-[(4-bromophenyl)methylthio]-3-(3-phenylpyrazol-5-yl)-1,2,4-triazole-4-ylamin e
| Molecular Formula | C18H15BrN6S |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 4.1038 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.02625 |
| Heavy Atoms | 26 |
| Complexity | 1009.85956 |
Chemical Identifiers
| CAS Number | 879466-30-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)Br |
Product Overview
3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879466-30-5), with molecular formula C18H15BrN6S and molecular weight 426.03 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of 4.1038 indicates that 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-((4-bromobenzyl)thio)-5-(3-phenyl-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-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 879466-30-5.
What is the molecular formula of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is C18H15BrN6S.
What is the molecular weight of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 426.03 g/mol.
Where can I buy 3-((4-bromobenzyl)thio)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((4-bromobenzyl)thio)-5-(3-phenyl-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-phenyl-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-phenyl-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.