2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- (CAS 130523-86-3) is a chemical compound with molecular formula C16H22O3S and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(4-methylsulfanylphenyl)-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-methylthiophenyl)-, 1-tert-butyl-4-(4-methylsulfanylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 4-(4-methylsulfanylphenyl)-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-TERT-BUTYL-1-[4-(METHYLSULFANYL)PHENYL]-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C16H22O3S |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.12897 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 130523-86-3 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)SC |
| InChIKey | PIAMAJKNBCNFGJ-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- (CAS 130523-86-3), with molecular formula C16H22O3S and molecular weight 294.13 g/mol. IUPAC: 4-tert-butyl-1-(4-methylsulfanylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-
The XLogP value of 3.2 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- has 0 hydrogen bond donor(s) and 4 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- is 130523-86-3.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- is C16H22O3S.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- is 294.13 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylthiophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.