Methyl 3-oxododecanoate
TL;DR: Methyl 3-oxododecanoate (CAS 76835-64-8) 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 3-oxododecanoate
Also Known As: Methyl 3-oxododecanoate, Dodecanoic acid,3-oxo-, methyl ester, 3-Oxolauric acid methyl ester, 3-oxododecanoic acid methyl ester, EINECS 278-561-8
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.2593 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 199.35439 |
Chemical Identifiers
| CAS Number | 76835-64-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)CC(=O)OC |
Product Overview
Methyl 3-oxododecanoate (CAS 76835-64-8), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: methyl 3-oxododecanoate.
Chemical Property Profile of Methyl 3-oxododecanoate
Property Insights of Methyl 3-oxododecanoate
The XLogP value of 3.2593 indicates that Methyl 3-oxododecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-oxododecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-oxododecanoate?
The CAS number of Methyl 3-oxododecanoate is 76835-64-8.
What is the molecular formula of Methyl 3-oxododecanoate?
The molecular formula of Methyl 3-oxododecanoate is C13H24O3.
What is the molecular weight of Methyl 3-oxododecanoate?
The molecular weight of Methyl 3-oxododecanoate is 228.17 g/mol.
Where can I buy Methyl 3-oxododecanoate?
You can request a quote for Methyl 3-oxododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxododecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.