Alpha-Ionone
TL;DR: Alpha-Ionone (CAS 30685-95-1) 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.
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Also Known As: ALPHA-IONONE, a-ionone, (E)-alpha-Ionone, Iraldeine, A-ionone
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 281.6107 |
Chemical Identifiers
| CAS Number | 30685-95-1 |
|---|---|
| SMILES | CC1=CCCC(C1/C=C/C(=O)C)(C)C |
Product Overview
Alpha-Ionone (CAS 30685-95-1), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one.
Chemical Property Profile of Alpha-Ionone
Property Insights of Alpha-Ionone
The XLogP value of 3.5141 indicates that Alpha-Ionone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Alpha-Ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-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 Alpha-Ionone?
The CAS number of Alpha-Ionone is 30685-95-1.
What is the molecular formula of Alpha-Ionone?
The molecular formula of Alpha-Ionone is C13H20O.
What is the molecular weight of Alpha-Ionone?
The molecular weight of Alpha-Ionone is 192.15 g/mol.
Where can I buy Alpha-Ionone?
You can request a quote for Alpha-Ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-Ionone?
Yes, KEHONG BIO provides custom synthesis services for Alpha-Ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.