![3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/714/714946-48-2.png)
3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 714946-48-2) is a chemical compound with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1,2,3-trimethoxy-5-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene, 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-phenyl-5-[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1H-pyrazole
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 3.9357 |
| Topological Polar Surface Area | 99.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1333.2334 |
Chemical Identifiers
| CAS Number | 714946-48-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 714946-48-2), with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol. IUPAC: 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.9357 indicates that 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[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 99.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[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-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 1 hydrogen bond donor(s) and 8 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-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 714946-48-2.
What is the molecular formula of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C21H18N6O3S.
What is the molecular weight of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 434.12 g/mol.
Where can I buy 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[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-(3,4,5-trimethoxyphenyl)-[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-(3,4,5-trimethoxyphenyl)-[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-(3,4,5-trimethoxyphenyl)-[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.