![3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine structure](/static/products/4052/405277-22-7.webp)
3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 405277-22-7) is a chemical compound with molecular formula C15H13BrN4S and molecular weight 360.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
Also Known As: 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine, 3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine, A2491/0105935, 3-((3-bromobenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-(3-Bromo-benzylsulfanyl)-5-phenyl-[1,2,4]triazol-4-ylamine
| Molecular Formula | C15H13BrN4S |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.00443 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 405277-22-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br |
| InChIKey | IGNCEHHTJXSIHU-UHFFFAOYSA-N |
Product Overview
3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 405277-22-7), with molecular formula C15H13BrN4S and molecular weight 360.00 g/mol. IUPAC: 3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine
The XLogP value of 3.9 indicates that 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine 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-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine is 405277-22-7.
What is the molecular formula of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine is C15H13BrN4S.
What is the molecular weight of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine is 360.00 g/mol.
Where can I buy 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-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-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.