1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester (CAS 56941-72-1) is a chemical compound with molecular formula C16H18O8 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(propoxycarbonyl)terephthalic acid
Also Known As: ethylenedioxo-4 heptanediol-1,7, 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester, 2,5-bis(propoxycarbonyl)terephthalic acid, 1,2,4,5-Benzene-tetracarboxylic acid, dipropyl ester, 2,5-bis(propoxycarbonyl)benzene-1,4-dicarboxylic acid
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 56941-72-1 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCC)C(=O)O |
| InChIKey | UMPAINQRYDYVBA-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, dipropyl ester (CAS 56941-72-1), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: 2,5-bis(propoxycarbonyl)terephthalic acid.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, dipropyl 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, dipropyl ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester is 56941-72-1.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester is C16H18O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester is 338.10 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, dipropyl 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, dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.