1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester (CAS 67923-78-8) is a chemical compound with molecular formula C26H38O8 and molecular weight 478.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(6-methylheptoxycarbonyl)benzene-1,3-dicarboxylic acid
Also Known As: 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester, 1,2,4,5-Benzenetricarboxylic acid, diisooctyl ester, 4,6-bis{[(6-methylheptyl)oxy]carbonyl}benzene-1,3-dicarboxylic acid, 1,2,4,5-BENZENETETRACARBOXYLIC ACID DIISOOCTYL ESTER, 4,6-bis(6-methylheptoxycarbonyl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C26H38O8 |
|---|---|
| Molecular Weight | 478.26 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 478.25668 |
| Heavy Atoms | 34 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 67923-78-8 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)OCCCCCC(C)C |
| InChIKey | AZGNFCHJLUYTRT-UHFFFAOYSA-N |
Product Overview
1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester (CAS 67923-78-8), with molecular formula C26H38O8 and molecular weight 478.26 g/mol. IUPAC: 4,6-bis(6-methylheptoxycarbonyl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester
The XLogP value of 6.9 indicates that 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester has 2 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, diisooctyl ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester is 67923-78-8.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester is C26H38O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester is 478.26 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl 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, diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.