2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- (CAS 97720-45-1) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Benzyl-4-tert-butylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-, 4-(1,1-Dimethylethyl)-1-(phenylmethyl)-2,6,7-trioxabicyclo(2.2.2)octane, 1-benzyl-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane, 4-benzyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 97720-45-1 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)CC3=CC=CC=C3 |
| InChIKey | PNPMXIPTCMJBIC-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- (CAS 97720-45-1), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 1-benzyl-4-tert-butyl-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-(phenylmethyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-
The XLogP value of 3.2 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- 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-(phenylmethyl)- 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- is 97720-45-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- is C16H22O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- is 262.16 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- 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-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.