![3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole structure](/static/products/4000/400078-08-2.webp)
3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
TL;DR: 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (CAS 400078-08-2) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-4-methylsulfonylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
Also Known As: 1J-331S, 3-[2-chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole, 3-(2-chloro-4-methylsulfonylphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole, 3-(2-chloro-4-methanesulfonylphenyl)-2H,4H,5H,6H-cyclopenta[c]pyrazole
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 2.6223 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.03864 |
| Heavy Atoms | 19 |
| Complexity | 749.99884 |
Chemical Identifiers
| CAS Number | 400078-08-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C2=NNC3=C2CCC3)Cl |
Product Overview
3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (CAS 400078-08-2), with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol. IUPAC: 3-(2-chloro-4-methylsulfonylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
Chemical Property Profile of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
Property Insights of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
The XLogP value of 2.6223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole. Following Lipinski's Rule of Five, 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole has 1 hydrogen bond donor(s) and 3 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-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The CAS number of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is 400078-08-2.
What is the molecular formula of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The molecular formula of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is C13H13ClN2O2S.
What is the molecular weight of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The molecular weight of 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is 296.04 g/mol.
Where can I buy 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
You can request a quote for 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Chloro-4-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydrocyclopenta[c]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.