1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester (CAS 72361-35-4) is a chemical compound with molecular formula C48H84O6 and molecular weight 756.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(11-methyldodecyl) benzene-1,2,4-tricarboxylate
Also Known As: Triisotridecyl trimellitate, Tris(isotridecyl)trimellitate, tri-isotridecyl trimellitate, Triisotridecyl benzene-1,2,4-tricarboxylate, EC 276-594-2
| Molecular Formula | C48H84O6 |
|---|---|
| Molecular Weight | 756.63 g/mol |
| LogP | 19.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 39 |
| Exact Mass | 756.6268 |
| Heavy Atoms | 54 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 72361-35-4 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCC(C)C |
| InChIKey | IGQFKXMQIMEIJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester (CAS 72361-35-4), with molecular formula C48H84O6 and molecular weight 756.63 g/mol. IUPAC: tris(11-methyldodecyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester
The XLogP value of 19.0 indicates that 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl 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-triisotridecyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester 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 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester is 72361-35-4.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester is C48H84O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester is 756.63 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisotridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.