Cyclohexa-2,5-diene-1,2-dicarboxylic acid
TL;DR: Cyclohexa-2,5-diene-1,2-dicarboxylic acid (CAS 1515-23-7) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexa-2,5-diene-1,2-dicarboxylic acid
Also Known As: cyclohexa-2,5-diene-1,2-dicarboxylic acid, 2,5-Cyclohexadiene-1,2-dicarboxylicacid, 2,5-Cyclohexadiene-1,2-dicarboxylic acid, Cyclohexa-2,5-dien-1,2-dicarbonsaeure, 1,5-Cyclohexadiene-1, 2-dicarboxylic acid-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04225 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 Da |
| Heavy Atoms | 12 |
| Complexity | 275.0 |
| SMILES | C1C=CC(C(=C1)C(=O)O)C(=O)O |
| InChIKey | XRCLQGMSELDJDX-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexa-2,5-diene-1,2-dicarboxylic acid
Property Insights of Cyclohexa-2,5-diene-1,2-dicarboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexa-2,5-diene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexa-2,5-diene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, Cyclohexa-2,5-diene-1,2-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclohexa-2,5-diene-1,2-dicarboxylic acid?
The CAS number of Cyclohexa-2,5-diene-1,2-dicarboxylic acid is 1515-23-7.
What is the molecular formula of Cyclohexa-2,5-diene-1,2-dicarboxylic acid?
The molecular formula of Cyclohexa-2,5-diene-1,2-dicarboxylic acid is C8H8O4.
What is the molecular weight of Cyclohexa-2,5-diene-1,2-dicarboxylic acid?
The molecular weight of Cyclohexa-2,5-diene-1,2-dicarboxylic acid is 168.04225 g/mol.
Where can I buy Cyclohexa-2,5-diene-1,2-dicarboxylic acid?
You can request a quote for Cyclohexa-2,5-diene-1,2-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexa-2,5-diene-1,2-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for Cyclohexa-2,5-diene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.