2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- (CAS 130523-89-6) is a chemical compound with molecular formula C16H22O5S and molecular weight 326.1188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-1-(4-methylsulfonylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-, 1-tert-butyl-4-(4-methylsulfonylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 4-(4-methylsulfonylphenyl)-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-tert-Butyl-1-[4-(methanesulfonyl)phenyl]-2,6,7-trioxabicyclo[2.2.2]octane
Technical Specifications
| Molecular Formula | C16H22O5S |
| Molecular Weight | 326.1188 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1188 Da |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)S(=O)(=O)C |
| InChIKey | PHMKHYQQCANMTN-UHFFFAOYSA-N |
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- is 130523-89-6.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- is C16H22O5S.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- is 326.1188 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)-?
Yes, CoreyChem provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(methylsulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.