Methyl 4-oxododecanoate
TL;DR: Methyl 4-oxododecanoate (CAS 33566-59-5) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxododecanoate
Also Known As: Methyl 4-oxododecanoate, methyl 4-ketolaurate, 4-Oxododecansaeuremethylester, 4-Oxolauric acid methyl ester, 4-Ketododecanoicacidmethylester
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 33566-59-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)CCC(=O)OC |
| InChIKey | OQOJOTYKXCZXLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-oxododecanoate (CAS 33566-59-5), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: methyl 4-oxododecanoate.
Chemical Property Profile of Methyl 4-oxododecanoate
Property Insights of Methyl 4-oxododecanoate
The XLogP value of 3.2 indicates that Methyl 4-oxododecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-oxododecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxododecanoate 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 Methyl 4-oxododecanoate?
The CAS number of Methyl 4-oxododecanoate is 33566-59-5.
What is the molecular formula of Methyl 4-oxododecanoate?
The molecular formula of Methyl 4-oxododecanoate is C13H24O3.
What is the molecular weight of Methyl 4-oxododecanoate?
The molecular weight of Methyl 4-oxododecanoate is 228.17 g/mol.
Where can I buy Methyl 4-oxododecanoate?
You can request a quote for Methyl 4-oxododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxododecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.