1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester (CAS 6862-68-6) is a chemical compound with molecular formula C14H14O8 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
Also Known As: diethyl dihydrogen pyromellitate, 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester, 4,6-bis(ethoxycarbonyl)isophthalic acid, 4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid, J1.051.512B
| Molecular Formula | C14H14O8 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.06888 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 6862-68-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)OCC |
| InChIKey | HPHJWHFOBLWKTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester (CAS 6862-68-6), with molecular formula C14H14O8 and molecular weight 310.07 g/mol. IUPAC: 4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester has 2 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 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester is 6862-68-6.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester is C14H14O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester is 310.07 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.