1,3-Dioctanoyl glycerol
TL;DR: 1,3-Dioctanoyl glycerol (CAS 36354-80-0) is a chemical compound with molecular formula C19H36O5 and molecular weight 344.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-octanoyloxypropyl) octanoate
Also Known As: 1,3-Dioctanoin, 1,3-Dioctanoylglycerol, dioctanoin, 1,3-Dioctanoyl glycerol, 1,3-dicaprylin
| Molecular Formula | C19H36O5 |
|---|---|
| Molecular Weight | 344.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 344.2563 |
| Heavy Atoms | 24 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 36354-80-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)O |
| InChIKey | DMBAVJVECSKEPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioctanoyl glycerol (CAS 36354-80-0), with molecular formula C19H36O5 and molecular weight 344.26 g/mol. IUPAC: (2-hydroxy-3-octanoyloxypropyl) octanoate.
Chemical Property Profile of 1,3-Dioctanoyl glycerol
Property Insights of 1,3-Dioctanoyl glycerol
The XLogP value of 5.4 indicates that 1,3-Dioctanoyl glycerol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioctanoyl glycerol. Following Lipinski's Rule of Five, 1,3-Dioctanoyl glycerol 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-Dioctanoyl glycerol?
The CAS number of 1,3-Dioctanoyl glycerol is 36354-80-0.
What is the molecular formula of 1,3-Dioctanoyl glycerol?
The molecular formula of 1,3-Dioctanoyl glycerol is C19H36O5.
What is the molecular weight of 1,3-Dioctanoyl glycerol?
The molecular weight of 1,3-Dioctanoyl glycerol is 344.26 g/mol.
Where can I buy 1,3-Dioctanoyl glycerol?
You can request a quote for 1,3-Dioctanoyl glycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioctanoyl glycerol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioctanoyl glycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.