![3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine structure](/static/products/5794/579446-21-2.webp)
3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine
TL;DR: 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine (CAS 579446-21-2) is a chemical compound with molecular formula C15H12BrClN4S and molecular weight 393.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(4-bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine, 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C15H12BrClN4S |
|---|---|
| Molecular Weight | 393.97 g/mol |
| LogP | 4.3671 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.96545 |
| Heavy Atoms | 22 |
| Complexity | 788.49146 |
Chemical Identifiers
| CAS Number | 579446-21-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br |
Product Overview
3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine (CAS 579446-21-2), with molecular formula C15H12BrClN4S and molecular weight 393.97 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine
Property Insights of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine
The XLogP value of 4.3671 indicates that 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine has 1 hydrogen bond donor(s) and 4 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)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine is 579446-21-2.
What is the molecular formula of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine is C15H12BrClN4S.
What is the molecular weight of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine is 393.97 g/mol.
Where can I buy 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine 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)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.