![Bicyclo[2.2.2]octane-2,3-dione structure](/static/products/4216/4216-89-1.webp)
Bicyclo[2.2.2]octane-2,3-dione
TL;DR: Bicyclo[2.2.2]octane-2,3-dione (CAS 4216-89-1) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]octane-2,3-dione
Also Known As: Bicyclo[2.2.2]octane-2,3-dione, J3.664.277G
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 4216-89-1 |
|---|---|
| SMILES | C1CC2CCC1C(=O)C2=O |
| InChIKey | WJSSILYUTTWPSP-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]octane-2,3-dione (CAS 4216-89-1), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: bicyclo[2.2.2]octane-2,3-dione.
Chemical Property Profile of Bicyclo[2.2.2]octane-2,3-dione
Property Insights of Bicyclo[2.2.2]octane-2,3-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]octane-2,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Bicyclo[2.2.2]octane-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octane-2,3-dione 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 Bicyclo[2.2.2]octane-2,3-dione?
The CAS number of Bicyclo[2.2.2]octane-2,3-dione is 4216-89-1.
What is the molecular formula of Bicyclo[2.2.2]octane-2,3-dione?
The molecular formula of Bicyclo[2.2.2]octane-2,3-dione is C8H10O2.
What is the molecular weight of Bicyclo[2.2.2]octane-2,3-dione?
The molecular weight of Bicyclo[2.2.2]octane-2,3-dione is 138.07 g/mol.
Where can I buy Bicyclo[2.2.2]octane-2,3-dione?
You can request a quote for Bicyclo[2.2.2]octane-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]octane-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]octane-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.