![Bicyclo[2.2.2]octa-2,5-diene structure](/static/products/5002/500-23-2.webp)
Bicyclo[2.2.2]octa-2,5-diene
TL;DR: Bicyclo[2.2.2]octa-2,5-diene (CAS 500-23-2) is a chemical compound with molecular formula C1CC2C=CC1C=C2 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]octa-2,5-diene
Also Known As: Bicyclo[2.2.2]octa-2,5-diene, Dihydrobarrelene, Bicyclo(2.2.2)octa-2,5-diene, 1,4-Ethano-2,5-cyclohexadiene, (1s,4s)-bicyclo[2.2.2]octa-2,5-diene
| Molecular Formula | C1CC2C=CC1C=C2 |
|---|---|
| Molecular Weight | 106.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 500-23-2 |
|---|---|
| SMILES | C1CC2C=CC1C=C2 |
| InChIKey | PPABCIZFQNHUIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.2]octa-2,5-diene (CAS 500-23-2), with molecular formula C1CC2C=CC1C=C2 and molecular weight 106.08 g/mol. IUPAC: bicyclo[2.2.2]octa-2,5-diene.
Chemical Property Profile of Bicyclo[2.2.2]octa-2,5-diene
Property Insights of Bicyclo[2.2.2]octa-2,5-diene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]octa-2,5-diene. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo[2.2.2]octa-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octa-2,5-diene has 0 hydrogen bond donor(s) and 0 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]octa-2,5-diene?
The CAS number of Bicyclo[2.2.2]octa-2,5-diene is 500-23-2.
What is the molecular formula of Bicyclo[2.2.2]octa-2,5-diene?
The molecular formula of Bicyclo[2.2.2]octa-2,5-diene is C1CC2C=CC1C=C2.
What is the molecular weight of Bicyclo[2.2.2]octa-2,5-diene?
The molecular weight of Bicyclo[2.2.2]octa-2,5-diene is 106.08 g/mol.
Where can I buy Bicyclo[2.2.2]octa-2,5-diene?
You can request a quote for Bicyclo[2.2.2]octa-2,5-diene 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]octa-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]octa-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.