![2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine structure](/static/products/3005/300541-61-1.webp)
2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
TL;DR: 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine (CAS 300541-61-1) is a chemical compound with molecular formula C20H15N5O3S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine
Also Known As: 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine, 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine, 2-{[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine
| Molecular Formula | C20H15N5O3S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 4.3973 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.08957 |
| Heavy Atoms | 29 |
| Complexity | 1163.7626 |
Chemical Identifiers
| CAS Number | 300541-61-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=CC=N4)[N+](=O)[O-] |
Product Overview
2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine (CAS 300541-61-1), with molecular formula C20H15N5O3S and molecular weight 405.09 g/mol. IUPAC: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine.
Chemical Property Profile of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
Property Insights of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
The XLogP value of 4.3973 indicates that 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine. Following Lipinski's Rule of Five, 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine has 0 hydrogen bond donor(s) and 7 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 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The CAS number of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is 300541-61-1.
What is the molecular formula of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The molecular formula of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is C20H15N5O3S.
What is the molecular weight of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The molecular weight of 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is 405.09 g/mol.
Where can I buy 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
You can request a quote for 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(2-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.