Cyclooct-3-en-1-one
TL;DR: Cyclooct-3-en-1-one (CAS 4734-90-1) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooct-3-en-1-one
Also Known As: 3-cyclooctenone
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.7 |
| 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 | 4734-90-1 |
|---|---|
| SMILES | C1CCC(=O)CC=CC1 |
| InChIKey | GYVYFOJMRQAKGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclooct-3-en-1-one (CAS 4734-90-1), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: cyclooct-3-en-1-one.
Chemical Property Profile of Cyclooct-3-en-1-one
Property Insights of Cyclooct-3-en-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooct-3-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclooct-3-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooct-3-en-1-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 Cyclooct-3-en-1-one?
The CAS number of Cyclooct-3-en-1-one is 4734-90-1.
What is the molecular formula of Cyclooct-3-en-1-one?
The molecular formula of Cyclooct-3-en-1-one is C8H12O.
What is the molecular weight of Cyclooct-3-en-1-one?
The molecular weight of Cyclooct-3-en-1-one is 124.09 g/mol.
Where can I buy Cyclooct-3-en-1-one?
You can request a quote for Cyclooct-3-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooct-3-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for Cyclooct-3-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.