![3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine structure](/static/products/840/840482-56-6.png)
3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine
TL;DR: 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine (CAS 840482-56-6) is a chemical compound with molecular formula C14H12BrN5S and molecular weight 361.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
Also Known As: 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine, 3-[(4-bromophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine, 3-((4-bromobenzyl)thio)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromobenzyl)sulfanyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylthio]-5-(3-pyridyl)-1,2,4-triazole-4-ylamine
| Molecular Formula | C14H12BrN5S |
|---|---|
| Molecular Weight | 361.00 g/mol |
| LogP | 3.1087 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.9997 |
| Heavy Atoms | 21 |
| Complexity | 726.8801 |
Chemical Identifiers
| CAS Number | 840482-56-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br |
Product Overview
3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine (CAS 840482-56-6), with molecular formula C14H12BrN5S and molecular weight 361.00 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine
Property Insights of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine
The XLogP value of 3.1087 indicates that 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine. Following Lipinski's Rule of Five, 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine has 1 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-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine?
The CAS number of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine is 840482-56-6.
What is the molecular formula of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine?
The molecular formula of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine is C14H12BrN5S.
What is the molecular weight of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine?
The molecular weight of 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine is 361.00 g/mol.
Where can I buy 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine?
You can request a quote for 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-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-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-benzylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.