Methyl 3-oxooctadecanoate
TL;DR: Methyl 3-oxooctadecanoate (CAS 14531-34-1) is a chemical compound with molecular formula C19H36O3 and molecular weight 312.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxooctadecanoate
Also Known As: Methyl 3-oxooctadecanoate, Methyl3-oxooctadecanoate, Octadecanoic acid, 3-oxo-, methyl ester, 3-Ketostearic acid methyl ester, 3-Oxooctadecanoic acid methyl ester
| Molecular Formula | C19H36O3 |
|---|---|
| Molecular Weight | 312.27 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 312.26645 |
| Heavy Atoms | 22 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 14531-34-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)CC(=O)OC |
| InChIKey | UKKQXJNTICLENY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-oxooctadecanoate (CAS 14531-34-1), with molecular formula C19H36O3 and molecular weight 312.27 g/mol. IUPAC: methyl 3-oxooctadecanoate.
Chemical Property Profile of Methyl 3-oxooctadecanoate
Property Insights of Methyl 3-oxooctadecanoate
The XLogP value of 7.3 indicates that Methyl 3-oxooctadecanoate 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 3-oxooctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxooctadecanoate 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 Methyl 3-oxooctadecanoate?
The CAS number of Methyl 3-oxooctadecanoate is 14531-34-1.
What is the molecular formula of Methyl 3-oxooctadecanoate?
The molecular formula of Methyl 3-oxooctadecanoate is C19H36O3.
What is the molecular weight of Methyl 3-oxooctadecanoate?
The molecular weight of Methyl 3-oxooctadecanoate is 312.27 g/mol.
Where can I buy Methyl 3-oxooctadecanoate?
You can request a quote for Methyl 3-oxooctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxooctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxooctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.