Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
TL;DR: Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate (CAS 66543-80-4) is a chemical compound with molecular formula C20H34O8 and molecular weight 402.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylpropyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: Acetyltriisobutyl citrate, EINECS 266-399-0, ACETYL TRIISOBUTYLCITRATE, ACETYL TRIISOBUTYL CITRATE, Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
| Molecular Formula | C20H34O8 |
|---|---|
| Molecular Weight | 402.23 g/mol |
| LogP | 2.6661 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 402.22537 |
| Heavy Atoms | 28 |
| Complexity | 510.32376 |
Chemical Identifiers
| CAS Number | 66543-80-4 |
|---|---|
| SMILES | CC(C)COC(=O)CC(CC(=O)OCC(C)C)(C(=O)OCC(C)C)OC(=O)C |
Product Overview
Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate (CAS 66543-80-4), with molecular formula C20H34O8 and molecular weight 402.23 g/mol. IUPAC: tris(2-methylpropyl) 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
Property Insights of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
The XLogP value of 2.6661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate?
The CAS number of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate is 66543-80-4.
What is the molecular formula of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate?
The molecular formula of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate is C20H34O8.
What is the molecular weight of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate?
The molecular weight of Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate is 402.23 g/mol.
Where can I buy Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate?
You can request a quote for Tris(2-methylpropyl) 2-(acetyloxy)propane-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 Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.