2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- (CAS 130523-90-9) is a chemical compound with molecular formula C16H19F3O4 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-[4-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl)-, 1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-3,5,8-trioxabicyclo[2.2.2]octane, 4-TERT-BUTYL-1-[4-(TRIFLUOROMETHOXY)PHENYL]-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C16H19F3O4 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.12354 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 130523-90-9 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)OC(F)(F)F |
| InChIKey | SHSBVGRQABHGOE-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- (CAS 130523-90-9), with molecular formula C16H19F3O4 and molecular weight 332.12 g/mol. IUPAC: 4-tert-butyl-1-[4-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)-
The XLogP value of 3.9 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- 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-(trifluoromethoxy)phenyl)- has 0 hydrogen bond donor(s) and 7 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-(trifluoromethoxy)phenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- is 130523-90-9.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- is C16H19F3O4.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- is 332.12 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- 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-(trifluoromethoxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(trifluoromethoxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.