1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)
TL;DR: 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) (CAS 53624-86-5) is a chemical compound with molecular formula C24H14O12 and molecular weight 494.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3,4-dicarboxybenzoyl)oxyphenoxy]carbonylphthalic acid
Also Known As: 4-[4-(3,4-dicarboxybenzoyl)oxyphenoxy]carbonylphthalic Acid, 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)
| Molecular Formula | C24H14O12 |
|---|---|
| Molecular Weight | 494.05 g/mol |
| LogP | 2.9178 |
| Topological Polar Surface Area | 201.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.04852 |
| Heavy Atoms | 36 |
| Complexity | 1311.0095 |
Chemical Identifiers
| CAS Number | 53624-86-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)OC(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O |
Product Overview
1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) (CAS 53624-86-5), with molecular formula C24H14O12 and molecular weight 494.05 g/mol. IUPAC: 4-[4-(3,4-dicarboxybenzoyl)oxyphenoxy]carbonylphthalic acid.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)
Property Insights of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)
The XLogP value of 2.9178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI). The TPSA of 201.8 Ų indicates high polarity, suggesting 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) is 53624-86-5.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) is C24H14O12.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) is 494.05 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI)?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) 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, 4,4'-(1,4-phenylene) ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 4,4'-(1,4-phenylene) ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.