2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- (CAS 70636-91-8) 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.
4-butyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-Butyl-1-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-, 4-butyl-1- -2,6,7-trioxabicyclo[2.2.2]octane, 1-butyl-4-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 4-Butyl-1-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.5498 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 200.37779 |
Chemical Identifiers
| CAS Number | 70636-91-8 |
|---|---|
| SMILES | CCCCC12COC(OC1)(OC2)C(C)C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- (CAS 70636-91-8), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 4-butyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-
The XLogP value of 2.5498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- 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-butyl-1-(1-methylethyl)- 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-butyl-1-(1-methylethyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- is 70636-91-8.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- is C12H22O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- is 214.16 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- 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-butyl-1-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.