5,6-Epoxy-beta-ionone
TL;DR: 5,6-Epoxy-beta-ionone (CAS 23267-57-4) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
Also Known As: beta-Ionone epoxide, 5,6-Epoxy-beta-ionone, beta-ionone 5,6-epoxide, 5,6-beta-Ionone epoxide, 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 23267-57-4 |
|---|---|
| SMILES | CC(=O)C=CC12C(CCCC1(O2)C)(C)C |
| InChIKey | ZTJZJYUGOJYHCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Epoxy-beta-ionone (CAS 23267-57-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one.
Chemical Property Profile of 5,6-Epoxy-beta-ionone
Property Insights of 5,6-Epoxy-beta-ionone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Epoxy-beta-ionone. With a topological polar surface area (TPSA) of 29.6 Ų, 5,6-Epoxy-beta-ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Epoxy-beta-ionone 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 5,6-Epoxy-beta-ionone?
The CAS number of 5,6-Epoxy-beta-ionone is 23267-57-4.
What is the molecular formula of 5,6-Epoxy-beta-ionone?
The molecular formula of 5,6-Epoxy-beta-ionone is C13H20O2.
What is the molecular weight of 5,6-Epoxy-beta-ionone?
The molecular weight of 5,6-Epoxy-beta-ionone is 208.15 g/mol.
Where can I buy 5,6-Epoxy-beta-ionone?
You can request a quote for 5,6-Epoxy-beta-ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Epoxy-beta-ionone?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Epoxy-beta-ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.