![2-Oxabicyclo[2.2.2]octan-3-one structure](/static/products/4350/4350-84-9.webp)
2-Oxabicyclo[2.2.2]octan-3-one
TL;DR: 2-Oxabicyclo[2.2.2]octan-3-one (CAS 4350-84-9) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxabicyclo[2.2.2]octan-3-one
Also Known As: 2-Oxabicyclo[2.2.2]octan-3-one, 2-Oxabicyclo(2.2.2)octan-3-one, 3-oxabicyclo[2.2.2]octan-2-one, 3,6-Ethanotetrahydropyran-2-one, 2-Oxabicyclo[2,2,2]octan-3-one
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 4350-84-9 |
|---|---|
| SMILES | C1CC2CCC1C(=O)O2 |
| InChIKey | NVORRKXXHHFWDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxabicyclo[2.2.2]octan-3-one (CAS 4350-84-9), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 2-oxabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-Oxabicyclo[2.2.2]octan-3-one
Property Insights of 2-Oxabicyclo[2.2.2]octan-3-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxabicyclo[2.2.2]octan-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Oxabicyclo[2.2.2]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxabicyclo[2.2.2]octan-3-one has 0 hydrogen bond donor(s) and 2 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-Oxabicyclo[2.2.2]octan-3-one?
The CAS number of 2-Oxabicyclo[2.2.2]octan-3-one is 4350-84-9.
What is the molecular formula of 2-Oxabicyclo[2.2.2]octan-3-one?
The molecular formula of 2-Oxabicyclo[2.2.2]octan-3-one is C7H10O2.
What is the molecular weight of 2-Oxabicyclo[2.2.2]octan-3-one?
The molecular weight of 2-Oxabicyclo[2.2.2]octan-3-one is 126.07 g/mol.
Where can I buy 2-Oxabicyclo[2.2.2]octan-3-one?
You can request a quote for 2-Oxabicyclo[2.2.2]octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.