Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68444-14-4) is a chemical compound with molecular formula C27H44O9 and molecular weight 512.2985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(3-oxooctanoyloxy)propyl 3-oxooctanoate
Also Known As: Glycerol tri(3-oxooctanoate), Glyceryl tri(3-oxooctanoate), Propane-1,2,3-triyl tris(3-oxooctanoate), Octanoic acid, 3-oxo-, 1,2,3-propanetriyl ester, 2,3-bis(3-oxooctanoyloxy)propyl 3-oxooctanoate
Technical Specifications
| Molecular Formula | C27H44O9 |
| Molecular Weight | 512.2985 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 26 |
| Exact Mass | 512.2985 Da |
| Heavy Atoms | 36 |
| Complexity | 659.0 |
| SMILES | CCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCC)OC(=O)CC(=O)CCCCC |
| InChIKey | DNBRLNRCKKEJHW-UHFFFAOYSA-N |
Chemical Property Profile of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 5.3 indicates that Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester. Following Lipinski's Rule of Five, Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is 68444-14-4.
What is the molecular formula of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is C27H44O9.
What is the molecular weight of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is 512.2985 g/mol.
Where can I buy Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, CoreyChem provides custom synthesis services for Octanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.