1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester (CAS 13011-95-5) is a chemical compound with molecular formula C12H10O8 and molecular weight 282.03757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(methoxycarbonyl)terephthalic acid
Also Known As: Dimethyl pyromellitate, 2,5-bis(methoxycarbonyl)terephthalic acid, 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester, J1.220.221K, 1,2,4,5-Benzenetetracarboxylicacid, 1,4-dimethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10O8 |
| Molecular Weight | 282.03757 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.03757 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OC)C(=O)O |
| InChIKey | QUNAYECDJMFUKV-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl 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
What is the CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester is 13011-95-5.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester is C12H10O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester is 282.03757 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.