Lauryl acetoacetate
TL;DR: Lauryl acetoacetate (CAS 52406-22-1) is a chemical compound with molecular formula C16H30O3 and molecular weight 270.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-oxobutanoate
Also Known As: Dodecyl acetoacetate, dodecyl 3-oxobutanoate, lauryl acetoacetate, Ureidofos, dodecylacetoacetate
| Molecular Formula | C16H30O3 |
|---|---|
| Molecular Weight | 270.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 270.21948 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 52406-22-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CC(=O)C |
| InChIKey | KCHWKBCUPLJWJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lauryl acetoacetate (CAS 52406-22-1), with molecular formula C16H30O3 and molecular weight 270.22 g/mol. IUPAC: dodecyl 3-oxobutanoate.
Chemical Property Profile of Lauryl acetoacetate
Property Insights of Lauryl acetoacetate
The XLogP value of 5.4 indicates that Lauryl acetoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Lauryl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lauryl acetoacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lauryl acetoacetate?
The CAS number of Lauryl acetoacetate is 52406-22-1.
What is the molecular formula of Lauryl acetoacetate?
The molecular formula of Lauryl acetoacetate is C16H30O3.
What is the molecular weight of Lauryl acetoacetate?
The molecular weight of Lauryl acetoacetate is 270.22 g/mol.
Where can I buy Lauryl acetoacetate?
You can request a quote for Lauryl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lauryl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Lauryl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.