1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester (CAS 3126-80-5) is a chemical compound with molecular formula C42H70O8 and molecular weight 702.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
Also Known As: Tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate, Tetra(2-ethylhexyl)pyromellitate, tri-2-ethylhexyl pyromellitate, NIOSH/DB9290000, tetra(2-ethylhexyl) pyromellitate
| Molecular Formula | C42H70O8 |
|---|---|
| Molecular Weight | 702.51 g/mol |
| LogP | 13.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 32 |
| Exact Mass | 702.5071 |
| Heavy Atoms | 50 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 3126-80-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| InChIKey | GNCDUZFXTFAOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester (CAS 3126-80-5), with molecular formula C42H70O8 and molecular weight 702.51 g/mol. IUPAC: tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester
The XLogP value of 13.8 indicates that 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester is 3126-80-5.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester is C42H70O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester is 702.51 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.