Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate
TL;DR: Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate (CAS 126-40-9) 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.
trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: acetyl triethylhexyl citrate, 3-O-Acetylcitric acid trioctyl ester, 1,2,3-trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate, 1,2,3-trioctyl 2-(acetyloxy)propane-1,2,3-tricarboxylate, 2-Acetoxy-1,2,3-propanetricarboxylic acid trioctyl ester
| Molecular Formula | C32H58O8 |
|---|---|
| Molecular Weight | 570.41 g/mol |
| LogP | 7.7796 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Exact Mass | 570.41315 |
| Heavy Atoms | 40 |
| Complexity | 643.8266 |
Chemical Identifiers
| CAS Number | 126-40-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC)(C(=O)OCCCCCCCC)OC(=O)C |
Product Overview
Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate (CAS 126-40-9), with molecular formula C32H58O8 and molecular weight 570.41 g/mol. IUPAC: trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate
Property Insights of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate
The XLogP value of 7.7796 indicates that Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate 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 Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate?
The CAS number of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate is 126-40-9.
What is the molecular formula of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate?
The molecular formula of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate is C32H58O8.
What is the molecular weight of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate?
The molecular weight of Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate is 570.41 g/mol.
Where can I buy Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate?
You can request a quote for Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trioctyl 2-acetyloxypropane-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.