![4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine structure](/static/products/6764/676468-78-3.webp)
4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine
TL;DR: 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine (CAS 676468-78-3) 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.
4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
Also Known As: BAS 09538109, 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine, 4-(5-((3-bromobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine, 4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C15H13BrN4S |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 3.9319 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.00443 |
| Heavy Atoms | 21 |
| Complexity | 742.43933 |
Chemical Identifiers
| CAS Number | 676468-78-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=NC=C3 |
Product Overview
4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine (CAS 676468-78-3), with molecular formula C15H13BrN4S and molecular weight 360.00 g/mol. IUPAC: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine
Property Insights of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine
The XLogP value of 3.9319 indicates that 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine has 0 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 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine?
The CAS number of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine is 676468-78-3.
What is the molecular formula of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine?
The molecular formula of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine is C15H13BrN4S.
What is the molecular weight of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine?
The molecular weight of 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine is 360.00 g/mol.
Where can I buy 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine?
You can request a quote for 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(3-Bromo-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.