4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane
TL;DR: 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane (CAS 70637-05-7) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: TBOB, t-Butylbicycloorthobenzoate, 4-t-Butyl-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane, 4-TERT-BUTYL-1-PHENYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-t-butyl-1-phenyl-
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 70637-05-7 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=CC=C3 |
| InChIKey | YXVNWLKUIGTVIH-UHFFFAOYSA-N |
Product Overview
4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane (CAS 70637-05-7), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-tert-butyl-1-phenyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane
Property Insights of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 27.7 Ų, 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 3 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 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane?
The CAS number of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane is 70637-05-7.
What is the molecular formula of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular formula of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane is C15H20O3.
What is the molecular weight of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular weight of 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane is 248.14 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane?
You can request a quote for 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.