1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester (CAS 68186-31-2) is a chemical compound with molecular formula C17H24O7 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarboxylic acid;2-ethylhexan-1-ol
Also Known As: 2-Ethylhexyl trimellitate, Trimellitic anhydride, 2-ethylhexanol ester, 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester, benzene-1,2,4-tricarboxylic acid- 2-ethylhexan-1-ol(1:1), benzene-1,2,4-tricarboxylic acid; 2-ethylhexan-1-ol
| Molecular Formula | C17H24O7 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.1522 |
| Heavy Atoms | 24 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 68186-31-2 |
|---|---|
| SMILES | CCCCC(CC)CO.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | IZPALCTWUIJZDK-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester (CAS 68186-31-2), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;2-ethylhexan-1-ol.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester
The XLogP value of 2.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester has 4 hydrogen bond donor(s) and 7 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, 2-ethylhexyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester is 68186-31-2.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester is C17H24O7.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester is 340.15 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 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-Benzenetricarboxylic acid, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.