3-(Nitrooxy)adamantane-1-carboxylic acid
TL;DR: 3-(Nitrooxy)adamantane-1-carboxylic acid (CAS 50795-82-9) is a chemical compound with molecular formula C11H15NO5 and molecular weight 241.09502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrooxyadamantane-1-carboxylic acid
Also Known As: 3-nitrooxyadamantane-1-carboxylic acid, 1-Hydroxy-3-adamantanecarboxylic acid nitrate, 3-(nitrooxy)adamantane-1-carboxylic acid, 3-nitroxyadamantane-1-carboxylic acid, 3-(nitrooxy)-1-adamantanecarboxylic acid
Technical Specifications
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.09502 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.09502 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])C(=O)O |
| InChIKey | MMKIPPCYRFXALZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Nitrooxy)adamantane-1-carboxylic acid
Property Insights of 3-(Nitrooxy)adamantane-1-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Nitrooxy)adamantane-1-carboxylic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Nitrooxy)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, 3-(Nitrooxy)adamantane-1-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Nitrooxy)adamantane-1-carboxylic acid?
The CAS number of 3-(Nitrooxy)adamantane-1-carboxylic acid is 50795-82-9.
What is the molecular formula of 3-(Nitrooxy)adamantane-1-carboxylic acid?
The molecular formula of 3-(Nitrooxy)adamantane-1-carboxylic acid is C11H15NO5.
What is the molecular weight of 3-(Nitrooxy)adamantane-1-carboxylic acid?
The molecular weight of 3-(Nitrooxy)adamantane-1-carboxylic acid is 241.09502 g/mol.
Where can I buy 3-(Nitrooxy)adamantane-1-carboxylic acid?
You can request a quote for 3-(Nitrooxy)adamantane-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Nitrooxy)adamantane-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Nitrooxy)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.