1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester (CAS 47358-57-6) is a chemical compound with molecular formula C16H16O8-2 and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(propan-2-yloxycarbonyl)terephthalate
Also Known As: 2,5-bis(propan-2-yloxycarbonyl)terephthalate, methyl 3,4-dihydronaphthalen-1-ylacetate, 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester, 2,5-Bis{[(propan-2-yl)oxy]carbonyl}benzene-1,4-dicarboxylate
| Molecular Formula | C16H16O8-2 |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | -0.456 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.0845 |
| Heavy Atoms | 24 |
| Complexity | 627.813 |
Chemical Identifiers
| CAS Number | 47358-57-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1C(=O)[O-])C(=O)OC(C)C)C(=O)[O-] |
Product Overview
1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester (CAS 47358-57-6), with molecular formula C16H16O8-2 and molecular weight 336.08 g/mol. IUPAC: 2,5-bis(propan-2-yloxycarbonyl)terephthalate.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester
The XLogP value of -0.456 indicates that 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester has 0 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, 1,4-bis(1-methylethyl) ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester is 47358-57-6.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester is C16H16O8-2.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester is 336.08 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) 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, 1,4-bis(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.