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Bicyclo[2.2.2]oct-5-en-2-one
TL;DR: Bicyclo[2.2.2]oct-5-en-2-one (CAS 2220-40-8) is a chemical compound with molecular formula C1CC2C=CC1CC2=O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]oct-5-en-2-one
Also Known As: Bicyclo[2.2.2]oct-5-en-2-one, Pentapheno, Bicyclo[2.2.2]octenone, bicyclo[2.2.2]oct-2-en-5-one, Bicyclo(2.2.2)octenone
| Molecular Formula | C1CC2C=CC1CC2=O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 2220-40-8 |
|---|---|
| SMILES | C1CC2C=CC1CC2=O |
| InChIKey | UJVGEBBKXJLFPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.2]oct-5-en-2-one (CAS 2220-40-8), with molecular formula C1CC2C=CC1CC2=O and molecular weight 122.07 g/mol. IUPAC: bicyclo[2.2.2]oct-5-en-2-one.
Chemical Property Profile of Bicyclo[2.2.2]oct-5-en-2-one
Property Insights of Bicyclo[2.2.2]oct-5-en-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-5-en-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[2.2.2]oct-5-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-5-en-2-one has 0 hydrogen bond donor(s) and 1 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]oct-5-en-2-one?
The CAS number of Bicyclo[2.2.2]oct-5-en-2-one is 2220-40-8.
What is the molecular formula of Bicyclo[2.2.2]oct-5-en-2-one?
The molecular formula of Bicyclo[2.2.2]oct-5-en-2-one is C1CC2C=CC1CC2=O.
What is the molecular weight of Bicyclo[2.2.2]oct-5-en-2-one?
The molecular weight of Bicyclo[2.2.2]oct-5-en-2-one is 122.07 g/mol.
Where can I buy Bicyclo[2.2.2]oct-5-en-2-one?
You can request a quote for Bicyclo[2.2.2]oct-5-en-2-one 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]oct-5-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-5-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.