1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester (CAS 61137-09-5) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid
Also Known As: 1(or 2)-(2-Ethylhexyl) trimellitate, starbld0001068, 2-Ethylhexyl trimellitate, Trimellitic acid 1-(2-ethylhexyl), Trimelliticacid-2-ethylhexyl Ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H22O6 |
| Molecular Weight | 322.14163 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.14163 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | CCCCC(CC)COC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O |
| InChIKey | BPAVWKYYIPGEQX-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester
The XLogP value of 4.0 indicates that 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) 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, 1(or 2)-(2-ethylhexyl) ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester is 61137-09-5.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester is C17H22O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester is 322.14163 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.