Allyl ionone
TL;DR: Allyl ionone (CAS 79-78-7) is a chemical compound with molecular formula C16H24O and molecular weight 232.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
Also Known As: Allyl ionone, Allyl alpha-ionone, Allyl-alpha-ionone, Cetone V, Ionone, allyl alpha-
| Molecular Formula | C16H24O |
|---|---|
| Molecular Weight | 232.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.18271 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 79-78-7 |
|---|---|
| SMILES | CC1=CCCC(C1C=CC(=O)CCC=C)(C)C |
| InChIKey | FXCYGAGBPZQRJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl ionone (CAS 79-78-7), with molecular formula C16H24O and molecular weight 232.18 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one.
Chemical Property Profile of Allyl ionone
Property Insights of Allyl ionone
The XLogP value of 4.0 indicates that Allyl 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, Allyl ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl ionone?
The CAS number of Allyl ionone is 79-78-7.
What is the molecular formula of Allyl ionone?
The molecular formula of Allyl ionone is C16H24O.
What is the molecular weight of Allyl ionone?
The molecular weight of Allyl ionone is 232.18 g/mol.
Where can I buy Allyl ionone?
You can request a quote for Allyl ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl ionone?
Yes, KEHONG BIO provides custom synthesis services for Allyl ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.