2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-
TL;DR: 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- (CAS 71121-92-1) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-ditert-butyl-2,3,7-trioxabicyclo[2.2.1]heptane
Also Known As: 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-, 1,4-di-tert-butyl-2,3,7-trioxabicyclo[2.2.1]heptane, 1,4-ditert-butyl-2,3,7-trioxabicyclo[2.2.1]heptane, 2,3,7-Trioxabicyclo[2.2.1]heptane,1,4-bis(1,1-dimethylethyl)-
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 71121-92-1 |
|---|---|
| SMILES | CC(C)(C)C12CCC(O1)(OO2)C(C)(C)C |
| InChIKey | ZICQWQZDQRLMLG-UHFFFAOYSA-N |
Product Overview
2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- (CAS 71121-92-1), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 1,4-ditert-butyl-2,3,7-trioxabicyclo[2.2.1]heptane.
Chemical Property Profile of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-
Property Insights of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-
The XLogP value of 3.7 indicates that 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- 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 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-?
The CAS number of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- is 71121-92-1.
What is the molecular formula of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-?
The molecular formula of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- is C12H22O3.
What is the molecular weight of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-?
The molecular weight of 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- is 214.16 g/mol.
Where can I buy 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-?
You can request a quote for 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,3,7-Trioxabicyclo(2.2.1)heptane, 1,4-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.