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Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
TL;DR: Bicyclo[2.2.2]octane-1,4-dicarboxylic acid (CAS 1211538-84-9) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bicyclo[2.2.2]octane-1,4-dicarboxylic acid
Also Known As: Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, YSWG649, 1,4-Dicarboxybicyclo[2.2.2]octane, Bicyclo[2.2.2]-1,4-dicarboxylic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.0892 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0892 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1CC2(CCC1(CC2)C(=O)O)C(=O)O |
| InChIKey | KVOACUMJSXEJQT-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
Property Insights of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]octane-1,4-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[2.2.2]octane-1,4-dicarboxylic acid. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octane-1,4-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 Bicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The CAS number of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid is 1211538-84-9.
What is the molecular formula of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The molecular formula of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid is C10H14O4.
What is the molecular weight of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The molecular weight of Bicyclo[2.2.2]octane-1,4-dicarboxylic acid is 198.0892 g/mol.
Where can I buy Bicyclo[2.2.2]octane-1,4-dicarboxylic acid?
You can request a quote for Bicyclo[2.2.2]octane-1,4-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[2.2.2]octane-1,4-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for Bicyclo[2.2.2]octane-1,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.