Decyl 3-oxobutanoate
TL;DR: Decyl 3-oxobutanoate (CAS 37826-52-1) is a chemical compound with molecular formula C14H26O3 and molecular weight 242.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 3-oxobutanoate
Also Known As: Decyl 3-oxobutanoate, decyl acetoacetate, 3-Oxobutyric acid decyl ester, J1.983.061F
| Molecular Formula | C14H26O3 |
|---|---|
| Molecular Weight | 242.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.1882 |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 37826-52-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CC(=O)C |
| InChIKey | CLCYRHCSVWOLHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl 3-oxobutanoate (CAS 37826-52-1), with molecular formula C14H26O3 and molecular weight 242.19 g/mol. IUPAC: decyl 3-oxobutanoate.
Chemical Property Profile of Decyl 3-oxobutanoate
Property Insights of Decyl 3-oxobutanoate
The XLogP value of 4.3 indicates that Decyl 3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Decyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 3-oxobutanoate has 0 hydrogen bond donor(s) and 3 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 Decyl 3-oxobutanoate?
The CAS number of Decyl 3-oxobutanoate is 37826-52-1.
What is the molecular formula of Decyl 3-oxobutanoate?
The molecular formula of Decyl 3-oxobutanoate is C14H26O3.
What is the molecular weight of Decyl 3-oxobutanoate?
The molecular weight of Decyl 3-oxobutanoate is 242.19 g/mol.
Where can I buy Decyl 3-oxobutanoate?
You can request a quote for Decyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.