![2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- structure](/static/products/4177/4177-72-4.webp)
2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
TL;DR: 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- (CAS 4177-72-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1,4-diethyl-2,6,7-trioxabicyclo[2.2.2]octane, 1,4-Diethyl-2,6,7-trioxabicyclo(2.2.2)octane, 3,6-Diethyl-1,5,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-diethyl-, 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 4177-72-4 |
|---|---|
| SMILES | CCC12COC(OC1)(OC2)CC |
| InChIKey | VYRWKGJBKMJWMF-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, 1,4-diethyl- (CAS 4177-72-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 1,4-diethyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
Property Insights of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- 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, 1,4-diethyl-?
The CAS number of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- is 4177-72-4.
What is the molecular formula of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-?
The molecular formula of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- is C9H16O3.
What is the molecular weight of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-?
The molecular weight of 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- is 172.11 g/mol.
Where can I buy 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-?
You can request a quote for 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- 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, 1,4-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.