1,2,4-Benzenetricarboxylic acid, monotridecyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, monotridecyl ester (CAS 68109-64-8) is a chemical compound with molecular formula C22H32O6 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tridecoxycarbonylterephthalic acid
Also Known As: Monotridecyl trimellitate, Trimellitic acid, monotridecyl ester, 2-tridecoxycarbonylterephthalic acid, 2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid, 1,2,4-Benzenetricarboxylic acid, monotridecyl ester
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 68109-64-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | RJTNLBWQIPNZIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzenetricarboxylic acid, monotridecyl ester (CAS 68109-64-8), with molecular formula C22H32O6 and molecular weight 392.22 g/mol. IUPAC: 2-tridecoxycarbonylterephthalic acid.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester
The XLogP value of 7.0 indicates that 1,2,4-Benzenetricarboxylic acid, monotridecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, monotridecyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, monotridecyl ester has 2 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, monotridecyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester is 68109-64-8.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester is C22H32O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, monotridecyl ester is 392.22 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, monotridecyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, monotridecyl 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, monotridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, monotridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.