Triheptyl benzene-1,2,4-tricarboxylate
TL;DR: Triheptyl benzene-1,2,4-tricarboxylate (CAS 1528-48-9) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triheptyl benzene-1,2,4-tricarboxylate
Also Known As: Triheptyl benzene-1,2,4-tricarboxylate, triheptyl trimellitate, tri-n-heptyltrimellitate, 1,2,4-Triheptyl 1,2,4-benzenetricarboxylate, 1,2,4-Benzenetricarboxylic acid triheptyl ester
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 1528-48-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC)C(=O)OCCCCCCC |
| InChIKey | SYKYENWAGZGAFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triheptyl benzene-1,2,4-tricarboxylate (CAS 1528-48-9), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: triheptyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Triheptyl benzene-1,2,4-tricarboxylate
Property Insights of Triheptyl benzene-1,2,4-tricarboxylate
The XLogP value of 10.1 indicates that Triheptyl 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 Triheptyl benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, Triheptyl 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 Triheptyl benzene-1,2,4-tricarboxylate?
The CAS number of Triheptyl benzene-1,2,4-tricarboxylate is 1528-48-9.
What is the molecular formula of Triheptyl benzene-1,2,4-tricarboxylate?
The molecular formula of Triheptyl benzene-1,2,4-tricarboxylate is C30H48O6.
What is the molecular weight of Triheptyl benzene-1,2,4-tricarboxylate?
The molecular weight of Triheptyl benzene-1,2,4-tricarboxylate is 504.35 g/mol.
Where can I buy Triheptyl benzene-1,2,4-tricarboxylate?
You can request a quote for Triheptyl 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 Triheptyl benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triheptyl benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.