Acetyl Trioctyl Citrate
TL;DR: Acetyl Trioctyl Citrate (CAS 144-15-0) is a chemical compound with molecular formula C32H58O8 and molecular weight 570.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: Acetyl trioctyl citrate, CITROFOL AHII, acetyl triethylhexyl citrate, CITROFLEX A-8, O-Acetyl tris(2-ethylhexyl)citrate
| Molecular Formula | C32H58O8 |
|---|---|
| Molecular Weight | 570.41 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Exact Mass | 570.41315 |
| Heavy Atoms | 40 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 144-15-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C |
| InChIKey | FRDNONBEXWDRDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetyl Trioctyl Citrate (CAS 144-15-0), with molecular formula C32H58O8 and molecular weight 570.41 g/mol. IUPAC: tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Acetyl Trioctyl Citrate
Property Insights of Acetyl Trioctyl Citrate
The XLogP value of 8.9 indicates that Acetyl Trioctyl Citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl Trioctyl Citrate. Following Lipinski's Rule of Five, Acetyl Trioctyl Citrate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyl Trioctyl Citrate?
The CAS number of Acetyl Trioctyl Citrate is 144-15-0.
What is the molecular formula of Acetyl Trioctyl Citrate?
The molecular formula of Acetyl Trioctyl Citrate is C32H58O8.
What is the molecular weight of Acetyl Trioctyl Citrate?
The molecular weight of Acetyl Trioctyl Citrate is 570.41 g/mol.
Where can I buy Acetyl Trioctyl Citrate?
You can request a quote for Acetyl Trioctyl Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl Trioctyl Citrate?
Yes, KEHONG BIO provides custom synthesis services for Acetyl Trioctyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.