2-Adamantanecarboxylic acid
TL;DR: 2-Adamantanecarboxylic acid (CAS 15897-81-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
adamantane-2-carboxylic acid
Also Known As: Adamantane-2-carboxylic acid, 2-Adamantanecarboxylic acid, adamantyl carboxylic acid, Adamantane-2-carboxylicacid, 2-Adamantanecarboxylicacid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.11504 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.11504 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1C2CC3CC1CC(C2)C3C(=O)O |
| InChIKey | UNGMXQVELCJRIH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Adamantanecarboxylic acid
Property Insights of 2-Adamantanecarboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Adamantanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Adamantanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Adamantanecarboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Adamantanecarboxylic acid?
The CAS number of 2-Adamantanecarboxylic acid is 15897-81-1.
What is the molecular formula of 2-Adamantanecarboxylic acid?
The molecular formula of 2-Adamantanecarboxylic acid is C11H16O2.
What is the molecular weight of 2-Adamantanecarboxylic acid?
The molecular weight of 2-Adamantanecarboxylic acid is 180.11504 g/mol.
Where can I buy 2-Adamantanecarboxylic acid?
You can request a quote for 2-Adamantanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Adamantanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Adamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.