![6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane structure](/static/products/116/1166390-79-9.webp)
6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane
TL;DR: 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane (CAS 1166390-79-9) is a chemical compound with molecular formula C14H17BrO2S and molecular weight 328.01328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(benzenesulfonyl)-6-bromo-6-methylbicyclo[3.1.1]heptane
Also Known As: 6-bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane, 7-(benzenesulfonyl)-6-bromo-6-methylbicyclo[3.1.1]heptane, 7-Benzenesulfonyl-6-bromo-6-methyl-bicyclo[3.1.1]heptane
Technical Specifications
| Molecular Formula | C14H17BrO2S |
| Molecular Weight | 328.01328 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.01328 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | CC1(C2CCCC1C2S(=O)(=O)C3=CC=CC=C3)Br |
| InChIKey | JFFGJBXTRSTZMO-UHFFFAOYSA-N |
Chemical Property Profile of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane
Property Insights of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane
The XLogP value of 3.6 indicates that 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-6-methyl-7-(phenylsulfonyl)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-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane?
The CAS number of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane is 1166390-79-9.
What is the molecular formula of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane?
The molecular formula of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane is C14H17BrO2S.
What is the molecular weight of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane?
The molecular weight of 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane is 328.01328 g/mol.
Where can I buy 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane?
You can request a quote for 6-Bromo-6-methyl-7-(phenylsulfonyl)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-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-6-methyl-7-(phenylsulfonyl)bicyclo[3.1.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.