Linolein
TL;DR: Linolein (CAS 537-40-6) is a chemical compound with molecular formula C57H98O6 and molecular weight 878.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(octadeca-9,12-dienoyloxy)propyl octadeca-9,12-dienoate
Also Known As: Trilinolein, Linolein, trilinoelaidin, Glycerol trilinoleate, Trilinoelaidin (9tr,12tr)
| Molecular Formula | C57H98O6 |
|---|---|
| Molecular Weight | 878.74 g/mol |
| LogP | 20.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 50 |
| Exact Mass | 878.7363 |
| Heavy Atoms | 63 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 537-40-6 |
|---|---|
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC |
| InChIKey | HBOQXIRUPVQLKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linolein (CAS 537-40-6), with molecular formula C57H98O6 and molecular weight 878.74 g/mol. IUPAC: 2,3-di(octadeca-9,12-dienoyloxy)propyl octadeca-9,12-dienoate.
Chemical Property Profile of Linolein
Property Insights of Linolein
The XLogP value of 20.3 indicates that Linolein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Linolein. Following Lipinski's Rule of Five, Linolein has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linolein?
The CAS number of Linolein is 537-40-6.
What is the molecular formula of Linolein?
The molecular formula of Linolein is C57H98O6.
What is the molecular weight of Linolein?
The molecular weight of Linolein is 878.74 g/mol.
Where can I buy Linolein?
You can request a quote for Linolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linolein?
Yes, KEHONG BIO provides custom synthesis services for Linolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.