Dibenzylidene acetone
TL;DR: Dibenzylidene acetone (CAS 538-58-9) is a chemical compound with molecular formula C17H14O and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diphenylpenta-1,4-dien-3-one
Also Known As: Dibenzylideneacetone, Dibenzalacetone, Styrol ketone, Dibenzylidene acetone, 1,5-Diphenylpenta-1,4-dien-3-one
| Molecular Formula | C17H14O |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10446 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 538-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2 |
| InChIKey | WMKGGPCROCCUDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzylidene acetone (CAS 538-58-9), with molecular formula C17H14O and molecular weight 234.10 g/mol. IUPAC: 1,5-diphenylpenta-1,4-dien-3-one.
Chemical Property Profile of Dibenzylidene acetone
Property Insights of Dibenzylidene acetone
The XLogP value of 4.1 indicates that Dibenzylidene acetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Dibenzylidene acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzylidene acetone 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 Dibenzylidene acetone?
The CAS number of Dibenzylidene acetone is 538-58-9.
What is the molecular formula of Dibenzylidene acetone?
The molecular formula of Dibenzylidene acetone is C17H14O.
What is the molecular weight of Dibenzylidene acetone?
The molecular weight of Dibenzylidene acetone is 234.10 g/mol.
Where can I buy Dibenzylidene acetone?
You can request a quote for Dibenzylidene acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzylidene acetone?
Yes, KEHONG BIO provides custom synthesis services for Dibenzylidene acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.