甘油1,2-二辛酸酯
TL;DR: 甘油1,2-二辛酸酯 (CAS 1069-87-0) 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.
甘油1,2-二辛酸酯
(3-hydroxy-2-octanoyloxypropyl) octanoate
Also Known As: dioctanoin, 1,2-Dioctanoylglycerol, Dicaprylglyceride, Dioctanoylglycerol, 1,2-Dioctanoin
| 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 | 317.0 |
Chemical Identifiers
| CAS Number | 1069-87-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC |
| InChIKey | ZQBULZYTDGUSSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甘油1,2-二辛酸酯 (CAS 1069-87-0), with molecular formula C19H36O5 and molecular weight 344.26 g/mol. IUPAC: (3-hydroxy-2-octanoyloxypropyl) octanoate.
Chemical Property Profile of 甘油1,2-二辛酸酯
Property Insights of 甘油1,2-二辛酸酯
The XLogP value of 5.4 indicates that 甘油1,2-二辛酸酯 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 甘油1,2-二辛酸酯. Following Lipinski's Rule of Five, 甘油1,2-二辛酸酯 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 甘油1,2-二辛酸酯?
The CAS number of 甘油1,2-二辛酸酯 is 1069-87-0.
What is the molecular formula of 甘油1,2-二辛酸酯?
The molecular formula of 甘油1,2-二辛酸酯 is C19H36O5.
What is the molecular weight of 甘油1,2-二辛酸酯?
The molecular weight of 甘油1,2-二辛酸酯 is 344.26 g/mol.
Where can I buy 甘油1,2-二辛酸酯?
You can request a quote for 甘油1,2-二辛酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甘油1,2-二辛酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甘油1,2-二辛酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.