1,2,4-Benzenetricarboxylic acid, triethyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, triethyl ester (CAS 14230-18-3) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl benzene-1,2,4-tricarboxylate
Also Known As: triethyl benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetris(carboxylic acid ethyl) ester, 1,2,4-Benzenetricarboxylic acid, triethyl ester, 1,2,4-tricarbethoxy-benzene, Triethyl 1,2,4-benzenetricarboxylate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 14230-18-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)C(=O)OCC |
| InChIKey | NGXQRWJDOKUJEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzenetricarboxylic acid, triethyl ester (CAS 14230-18-3), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: triethyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, triethyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, triethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzenetricarboxylic acid, triethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, triethyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, triethyl ester has 0 hydrogen bond donor(s) and 6 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, triethyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, triethyl ester is 14230-18-3.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, triethyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, triethyl ester is C15H18O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, triethyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, triethyl ester is 294.11 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, triethyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, triethyl 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, triethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, triethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.