1,3-Diolein
TL;DR: 1,3-Diolein (CAS 256372-58-4) is a chemical compound with molecular formula C39H72O5 and molecular weight 620.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Also Known As: 1,3-Diolein, 1,3-Dioleoylglycerol, Diolein, Glycerol 1,3-dioleate, Diacylglycerol
| Molecular Formula | C39H72O5 |
|---|---|
| Molecular Weight | 620.54 g/mol |
| LogP | 11.5087 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 34 |
| Exact Mass | 620.53796 |
| Heavy Atoms | 44 |
| Complexity | 615.42413 |
Chemical Identifiers
| CAS Number | 256372-58-4 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
1,3-Diolein (CAS 256372-58-4), with molecular formula C39H72O5 and molecular weight 620.54 g/mol. IUPAC: [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate.
Chemical Property Profile of 1,3-Diolein
Property Insights of 1,3-Diolein
The XLogP value of 11.5087 indicates that 1,3-Diolein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diolein. Following Lipinski's Rule of Five, 1,3-Diolein has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diolein?
The CAS number of 1,3-Diolein is 256372-58-4.
What is the molecular formula of 1,3-Diolein?
The molecular formula of 1,3-Diolein is C39H72O5.
What is the molecular weight of 1,3-Diolein?
The molecular weight of 1,3-Diolein is 620.54 g/mol.
Where can I buy 1,3-Diolein?
You can request a quote for 1,3-Diolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diolein?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.