1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester (CAS 59431-98-0) is a chemical compound with molecular formula C33H54O6 and molecular weight 546.392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trioctan-2-yl benzene-1,2,4-tricarboxylate
Also Known As: Tris(1-methylheptyl) trimellitate, tris benzene-1,2,4-tricarboxylate, trioctan-2-yl benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetricarboxylic acid, tricapryl ester, Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate
Technical Specifications
| Molecular Formula | C33H54O6 |
| Molecular Weight | 546.392 g/mol |
| XLogP | 11.4 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 546.392 Da |
| Heavy Atoms | 39 |
| Complexity | 677.0 |
| SMILES | CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC |
| InChIKey | UVCNQUKPQSCICG-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester
The XLogP value of 11.4 indicates that 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester 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 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester is 59431-98-0.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester is C33H54O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester is 546.392 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.