![3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/850/850901-50-7.png)
3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 850901-50-7) is a chemical compound with molecular formula C20H16N6OS and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methylphenoxy)methyl]-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 4-methyl-1-{[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]methoxy}benzene, 5-[6-(4-methylphenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-phenyl-1H-pyrazole, 6-[(4-methylphenoxy)methyl]-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-methylphenoxy)methyl]-3-(3-phenyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C20H16N6OS |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.13032 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.11063 |
| Heavy Atoms | 28 |
| Complexity | 1222.8156 |
Chemical Identifiers
| CAS Number | 850901-50-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 850901-50-7), with molecular formula C20H16N6OS and molecular weight 388.11 g/mol. IUPAC: 6-[(4-methylphenoxy)methyl]-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.13032 indicates that 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 1 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-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 850901-50-7.
What is the molecular formula of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C20H16N6OS.
What is the molecular weight of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 388.11 g/mol.
Where can I buy 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-phenyl-1H-pyrazol-5-yl)-6-((p-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.