Ionone
TL;DR: Ionone (CAS 127-41-3) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Also Known As: IONONE, Iraldeine, Irisone, a-ionone, ALPHA-IONONE
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 127-41-3 |
|---|---|
| SMILES | CC1=CCCC(C1C=CC(=O)C)(C)C |
| InChIKey | UZFLPKAIBPNNCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ionone (CAS 127-41-3), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one.
Chemical Property Profile of Ionone
Property Insights of Ionone
The XLogP value of 3.0 indicates that Ionone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ionone 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 Ionone?
The CAS number of Ionone is 127-41-3.
What is the molecular formula of Ionone?
The molecular formula of Ionone is C13H20O.
What is the molecular weight of Ionone?
The molecular weight of Ionone is 192.15 g/mol.
Where can I buy Ionone?
You can request a quote for Ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ionone?
Yes, KEHONG BIO provides custom synthesis services for Ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.