Cyclooctene-3-one
TL;DR: Cyclooctene-3-one (CAS 23202-10-0) is a chemical compound with molecular formula C1CCC=CC(=O)CC1 and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooct-2-en-1-one
Also Known As: Cyclooctenone, 2-Cyclooctenone, Cyclooct-2-enone, Cyclooctene-3-one, 2-Cycloocten-1-one
| Molecular Formula | C1CCC=CC(=O)CC1 |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 23202-10-0 |
|---|---|
| SMILES | C1CCC=CC(=O)CC1 |
| InChIKey | NSHQAIKRVDXIMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclooctene-3-one (CAS 23202-10-0), with molecular formula C1CCC=CC(=O)CC1 and molecular weight 124.09 g/mol. IUPAC: cyclooct-2-en-1-one.
Chemical Property Profile of Cyclooctene-3-one
Property Insights of Cyclooctene-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooctene-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclooctene-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooctene-3-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 Cyclooctene-3-one?
The CAS number of Cyclooctene-3-one is 23202-10-0.
What is the molecular formula of Cyclooctene-3-one?
The molecular formula of Cyclooctene-3-one is C1CCC=CC(=O)CC1.
What is the molecular weight of Cyclooctene-3-one?
The molecular weight of Cyclooctene-3-one is 124.09 g/mol.
Where can I buy Cyclooctene-3-one?
You can request a quote for Cyclooctene-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctene-3-one?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.