![1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene structure](/static/products/877/877806-86-5.png)
1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
TL;DR: 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene (CAS 877806-86-5) is a chemical compound with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,6-dimethoxyphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene, 3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-6-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,6-dimethoxyphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,6-dimethoxyphenyl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H16N6O2S |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 2.7488 |
| Topological Polar Surface Area | 90.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.10553 |
| Heavy Atoms | 26 |
| Complexity | 1089.8069 |
Chemical Identifiers
| CAS Number | 877806-86-5 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5 |
Product Overview
1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene (CAS 877806-86-5), with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol. IUPAC: 6-(2,6-dimethoxyphenyl)-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 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
Property Insights of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
The XLogP value of 2.7488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene. The TPSA of 90.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene. Following Lipinski's Rule of Five, 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene has 1 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 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The CAS number of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is 877806-86-5.
What is the molecular formula of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The molecular formula of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is C17H16N6O2S.
What is the molecular weight of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The molecular weight of 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is 368.11 g/mol.
Where can I buy 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
You can request a quote for 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethoxy-2-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol o[3,4-b]1,3,4-thiadiazolin-6-yl))benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.