![6-(Benzenesulfonyl)bicyclo[3.1.1]heptane structure](/static/products/118/1189981-76-7.webp)
6-(Benzenesulfonyl)bicyclo[3.1.1]heptane
TL;DR: 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane (CAS 1189981-76-7) is a chemical compound with molecular formula C13H16O2S and molecular weight 236.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(benzenesulfonyl)bicyclo[3.1.1]heptane
Also Known As: Phenyl(norpinane-7-yl) sulfone, 6-(benzenesulfonyl)bicyclo[3.1.1]heptane, J3.201.961G
Technical Specifications
| Molecular Formula | C13H16O2S |
| Molecular Weight | 236.0871 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.0871 Da |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
| SMILES | C1CC2CC(C1)C2S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | ZNAPDFHJRDSMFA-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane
Property Insights of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane. With a topological polar surface area (TPSA) of 42.5 Ų, 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane?
The CAS number of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane is 1189981-76-7.
What is the molecular formula of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane?
The molecular formula of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane is C13H16O2S.
What is the molecular weight of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane?
The molecular weight of 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane is 236.0871 g/mol.
Where can I buy 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane?
You can request a quote for 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane?
Yes, CoreyChem provides custom synthesis services for 6-(Benzenesulfonyl)bicyclo[3.1.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.