![3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/850/850736-95-7.png)
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 850736-95-7) is a chemical compound with molecular formula C20H16N6S and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-([1,1'-biphenyl]-4-yl)-3-(3-methyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(biphenyl-4-yl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C20H16N6S |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.11572 |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 850736-95-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)C5=CC=CC=C5 |
| InChIKey | WNBWDSCHSRNJMX-UHFFFAOYSA-N |
Product Overview
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 850736-95-7), with molecular formula C20H16N6S and molecular weight 372.12 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 3.9 indicates that 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 1 hydrogen bond donor(s) and 5 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-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 850736-95-7.
What is the molecular formula of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C20H16N6S.
What is the molecular weight of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 372.12 g/mol.
Where can I buy 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.