3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 496777-06-1) is a chemical compound with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, F1346-0010, 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-(4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine, 3-{4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C15H13N5O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.0776 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.079 |
| Heavy Atoms | 23 |
| Complexity | 817.64343 |
Chemical Identifiers
| CAS Number | 496777-06-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3 |
Product Overview
3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 496777-06-1), with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol. IUPAC: 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 3.0776 indicates that 3-(4-methyl-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-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine. Following Lipinski's Rule of Five, 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 6 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-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine is 496777-06-1.
What is the molecular formula of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine is C15H13N5O2S.
What is the molecular weight of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine is 327.08 g/mol.
Where can I buy 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 3-(4-methyl-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-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methyl-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.