2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- (CAS 70636-89-4) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Ethyl-4-butyl-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-, 1-butyl-4-ethyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-ETHYL-4-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 4-BUTYL-1-ETHYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.3038 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 178.18 |
Chemical Identifiers
| CAS Number | 70636-89-4 |
|---|---|
| SMILES | CCCCC12COC(OC1)(OC2)CC |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- (CAS 70636-89-4), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: 4-butyl-1-ethyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-
The XLogP value of 2.3038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- 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, 1-ethyl-4-butyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- is 70636-89-4.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- is C11H20O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- is 200.14 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- 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, 1-ethyl-4-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.