Trihexyl benzene-1,2,4-tricarboxylate
TL;DR: Trihexyl benzene-1,2,4-tricarboxylate (CAS 1528-49-0) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.29813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trihexyl benzene-1,2,4-tricarboxylate
Also Known As: Trihexyl trimellitate, TRI-N-HEXYLTRIMELLITATE, Trihexyl benzene-1,2,4-tricarboxylate, Morflex 560, Tri-n-hexyl trimellitate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H42O6 |
| Molecular Weight | 462.29813 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 462.29813 Da |
| Heavy Atoms | 33 |
| Complexity | 547.0 |
| SMILES | CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCC)C(=O)OCCCCCC |
| InChIKey | MXHBQKVKHGQWRB-UHFFFAOYSA-N |
Chemical Property Profile of Trihexyl benzene-1,2,4-tricarboxylate
Property Insights of Trihexyl benzene-1,2,4-tricarboxylate
The XLogP value of 8.5 indicates that Trihexyl 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 Trihexyl benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, Trihexyl 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
What is the CAS number of Trihexyl benzene-1,2,4-tricarboxylate?
The CAS number of Trihexyl benzene-1,2,4-tricarboxylate is 1528-49-0.
What is the molecular formula of Trihexyl benzene-1,2,4-tricarboxylate?
The molecular formula of Trihexyl benzene-1,2,4-tricarboxylate is C27H42O6.
What is the molecular weight of Trihexyl benzene-1,2,4-tricarboxylate?
The molecular weight of Trihexyl benzene-1,2,4-tricarboxylate is 462.29813 g/mol.
Where can I buy Trihexyl benzene-1,2,4-tricarboxylate?
You can request a quote for Trihexyl benzene-1,2,4-tricarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trihexyl benzene-1,2,4-tricarboxylate?
Yes, CoreyChem provides custom synthesis services for Trihexyl benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.