beta-Ionylideneacetaldehyde
TL;DR: beta-Ionylideneacetaldehyde (CAS 54226-17-4) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
Also Known As: beta-Ionylideneacetaldehyde, beta-apo-11-carotenal, Betacarotene impurity 9, (7E,9E)-beta-Ionylidene Acetaldehyde, (E)-beta-Ionylideneacetaldehyde
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 4.2144 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 353.63126 |
Chemical Identifiers
| CAS Number | 54226-17-4 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=O)/C |
Product Overview
beta-Ionylideneacetaldehyde (CAS 54226-17-4), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal.
Chemical Property Profile of beta-Ionylideneacetaldehyde
Property Insights of beta-Ionylideneacetaldehyde
The XLogP value of 4.2144 indicates that beta-Ionylideneacetaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, beta-Ionylideneacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ionylideneacetaldehyde 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 beta-Ionylideneacetaldehyde?
The CAS number of beta-Ionylideneacetaldehyde is 54226-17-4.
What is the molecular formula of beta-Ionylideneacetaldehyde?
The molecular formula of beta-Ionylideneacetaldehyde is C15H22O.
What is the molecular weight of beta-Ionylideneacetaldehyde?
The molecular weight of beta-Ionylideneacetaldehyde is 218.17 g/mol.
Where can I buy beta-Ionylideneacetaldehyde?
You can request a quote for beta-Ionylideneacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ionylideneacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for beta-Ionylideneacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.