2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- (CAS 4171-93-1) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane, AI3-26912()C, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-, 4-Ethyl-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo[2.2.2]octane,4-ethyl-
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 4171-93-1 |
|---|---|
| SMILES | CCC12COC(OC1)OC2 |
| InChIKey | IGRGZFDQPRQUMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- (CAS 4171-93-1), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- 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-ethyl- 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-ethyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- is 4171-93-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- is C7H12O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- is 144.08 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- 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-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.