3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 674355-26-1) is a chemical compound with molecular formula C20H14BrN5O2S and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-[4-(4-bromophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 3-{4-(4-bromophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 4-(4-bromophenyl)-3-[(4-nitrophenyl)methylthio]-5-(3-pyridyl)-1,2,4-triazole
| Molecular Formula | C20H14BrN5O2S |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 5.2923 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.00516 |
| Heavy Atoms | 29 |
| Complexity | 1132.0176 |
Chemical Identifiers
| CAS Number | 674355-26-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 674355-26-1), with molecular formula C20H14BrN5O2S and molecular weight 467.01 g/mol. IUPAC: 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 5.2923 indicates that 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine. Following Lipinski's Rule of Five, 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 674355-26-1.
What is the molecular formula of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is C20H14BrN5O2S.
What is the molecular weight of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 467.01 g/mol.
Where can I buy 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-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 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.