Triisobutyl benzene-1,2,4-tricarboxylate
TL;DR: Triisobutyl benzene-1,2,4-tricarboxylate (CAS 1528-52-5) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylpropyl) benzene-1,2,4-tricarboxylate
Also Known As: Triisobutyl benzene-1,2,4-tricarboxylate, tris(2-methylpropyl) benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetricarboxylic acid tris(2-methylpropyl) ester, 1,2,4-BENZENETRICARBOXYLIC ACID, TRIISOBUTYL ESTER, 1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 1528-52-5 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(C)C)C(=O)OCC(C)C |
| InChIKey | GQBWSGXZXIZPAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisobutyl benzene-1,2,4-tricarboxylate (CAS 1528-52-5), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: tris(2-methylpropyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Triisobutyl benzene-1,2,4-tricarboxylate
Property Insights of Triisobutyl benzene-1,2,4-tricarboxylate
The XLogP value of 5.3 indicates that Triisobutyl benzene-1,2,4-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisobutyl benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, Triisobutyl benzene-1,2,4-tricarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triisobutyl benzene-1,2,4-tricarboxylate?
The CAS number of Triisobutyl benzene-1,2,4-tricarboxylate is 1528-52-5.
What is the molecular formula of Triisobutyl benzene-1,2,4-tricarboxylate?
The molecular formula of Triisobutyl benzene-1,2,4-tricarboxylate is C21H30O6.
What is the molecular weight of Triisobutyl benzene-1,2,4-tricarboxylate?
The molecular weight of Triisobutyl benzene-1,2,4-tricarboxylate is 378.20 g/mol.
Where can I buy Triisobutyl benzene-1,2,4-tricarboxylate?
You can request a quote for Triisobutyl benzene-1,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisobutyl benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triisobutyl benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.