Octadecanoic acid, 12-oxo-, methyl ester
TL;DR: Octadecanoic acid, 12-oxo-, methyl ester (CAS 2380-27-0) 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 12-oxooctadecanoate
Also Known As: Methyl 12-oxooctadecanoate, Methyl 12-ketostearate, Methyl 12-oxostearate, Methyl12-Ketostearate, Octadecanoic acid, 12-oxo-, methyl ester
| Molecular Formula | C19H36O3 |
|---|---|
| Molecular Weight | 312.27 g/mol |
| LogP | 6.1 |
| 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 | 2380-27-0 |
|---|---|
| SMILES | CCCCCCC(=O)CCCCCCCCCCC(=O)OC |
| InChIKey | XVSPEBNRFAFNAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 12-oxo-, methyl ester (CAS 2380-27-0), with molecular formula C19H36O3 and molecular weight 312.27 g/mol. IUPAC: methyl 12-oxooctadecanoate.
Chemical Property Profile of Octadecanoic acid, 12-oxo-, methyl ester
Property Insights of Octadecanoic acid, 12-oxo-, methyl ester
The XLogP value of 6.1 indicates that Octadecanoic acid, 12-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Octadecanoic acid, 12-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid, 12-oxo-, methyl ester 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 Octadecanoic acid, 12-oxo-, methyl ester?
The CAS number of Octadecanoic acid, 12-oxo-, methyl ester is 2380-27-0.
What is the molecular formula of Octadecanoic acid, 12-oxo-, methyl ester?
The molecular formula of Octadecanoic acid, 12-oxo-, methyl ester is C19H36O3.
What is the molecular weight of Octadecanoic acid, 12-oxo-, methyl ester?
The molecular weight of Octadecanoic acid, 12-oxo-, methyl ester is 312.27 g/mol.
Where can I buy Octadecanoic acid, 12-oxo-, methyl ester?
You can request a quote for Octadecanoic acid, 12-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 12-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 12-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.