![4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene structure](/static/products/862/862210-28-4.png)
4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene
TL;DR: 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene (CAS 862210-28-4) is a chemical compound with molecular formula C16H13ClN6OS and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenoxy)methyl]-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene, 6-((4-chlorophenoxy)methyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenoxymethyl)-3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H13ClN6OS |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.297 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.056 |
| Heavy Atoms | 25 |
| Complexity | 1050.6451 |
Chemical Identifiers
| CAS Number | 862210-28-4 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(S4)COC5=CC=C(C=C5)Cl |
Product Overview
4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene (CAS 862210-28-4), with molecular formula C16H13ClN6OS and molecular weight 372.06 g/mol. IUPAC: 6-[(4-chlorophenoxy)methyl]-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 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene
Property Insights of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene
The XLogP value of 3.297 indicates that 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene. Following Lipinski's Rule of Five, 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene has 1 hydrogen bond donor(s) and 6 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 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene?
The CAS number of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene is 862210-28-4.
What is the molecular formula of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene?
The molecular formula of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene is C16H13ClN6OS.
What is the molecular weight of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene?
The molecular weight of 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene is 372.06 g/mol.
Where can I buy 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene?
You can request a quote for 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-[(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3, 4-b]1,3,4-thiadiazolin-6-yl))methoxy]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.