Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 94236-90-5) is a chemical compound with molecular formula C33H56O9 and molecular weight 596.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(3-oxodecanoyloxy)propyl 3-oxodecanoate
Also Known As: Glyceryl tri(3-oxodecanoate), Glycerol tris(3-oxodecanoate), 1,2,3-propanetriyltris, 1,2,3-Propanetriyl tris(3-oxodecanoate), Decanoic acid, 3-oxo-, 1,2,3-propanetriyl ester
| Molecular Formula | C33H56O9 |
|---|---|
| Molecular Weight | 596.39 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 32 |
| Exact Mass | 596.39246 |
| Heavy Atoms | 42 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 94236-90-5 |
|---|---|
| SMILES | CCCCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCCCC)OC(=O)CC(=O)CCCCCCC |
| InChIKey | JMGZJVGBEHSEEW-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 94236-90-5), with molecular formula C33H56O9 and molecular weight 596.39 g/mol. IUPAC: 2,3-bis(3-oxodecanoyloxy)propyl 3-oxodecanoate.
Chemical Property Profile of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 8.5 indicates that Decanoic 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 Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester. Following Lipinski's Rule of Five, Decanoic 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
Frequently Asked Questions
What is the CAS number of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is 94236-90-5.
What is the molecular formula of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is C33H56O9.
What is the molecular weight of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester is 596.39 g/mol.
Where can I buy Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, 3-oxo-, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic 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.