![2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene structure](/static/products/877/877800-57-2.png)
2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
TL;DR: 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene (CAS 877800-57-2) is a chemical compound with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene, 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C18H18N6O3S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 2.7574 |
| Topological Polar Surface Area | 99.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11612 |
| Heavy Atoms | 28 |
| Complexity | 1177.8773 |
Chemical Identifiers
| CAS Number | 877800-57-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5)OC)OC |
Product Overview
2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene (CAS 877800-57-2), with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol. IUPAC: 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
Property Insights of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene
The XLogP value of 2.7574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene. The TPSA of 99.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene. Following Lipinski's Rule of Five, 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene 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 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The CAS number of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is 877800-57-2.
What is the molecular formula of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The molecular formula of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is C18H18N6O3S.
What is the molecular weight of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
The molecular weight of 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene is 398.12 g/mol.
Where can I buy 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
You can request a quote for 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[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 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-trimethoxy-1-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-tria zolo[3,4-b]1,3,4-thiadiazolin-6-yl))benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.