![3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/877/877796-70-8.png)
3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 877796-70-8) is a chemical compound with molecular formula C16H14N6S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-methylphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-methylphenyl)-3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)-1,2,4-triaz olo[3,4-b]1,3,4-thiadiazoline
| Molecular Formula | C16H14N6S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.04002 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.10007 |
| Heavy Atoms | 23 |
| Complexity | 1007.2336 |
Chemical Identifiers
| CAS Number | 877796-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5 |
Product Overview
3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 877796-70-8), with molecular formula C16H14N6S and molecular weight 322.10 g/mol. IUPAC: 6-(4-methylphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.04002 indicates that 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[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 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 877796-70-8.
What is the molecular formula of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C16H14N6S.
What is the molecular weight of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 322.10 g/mol.
Where can I buy 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[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-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(p-tolyl)-[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.