2-(Nitrooxy)-2-adamantanecarboxylic acid
TL;DR: 2-(Nitrooxy)-2-adamantanecarboxylic acid (CAS 53778-26-0) is a chemical compound with molecular formula C11H15NO5 and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrooxyadamantane-2-carboxylic acid
Also Known As: MixCom6_002313, 2-nitrooxyadamantane-2-carboxylic acid, 2-(nitrooxy)-2-adamantanecarboxylic acid, 2-(Nitrooxy)adamantane-2-carboxylic acid, BIM-0047353.P001
| Molecular Formula | C11H15NO5 |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.09502 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 53778-26-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3(C(=O)O)O[N+](=O)[O-] |
| InChIKey | PZNCCKQLSIXSFR-UHFFFAOYSA-N |
Product Overview
2-(Nitrooxy)-2-adamantanecarboxylic acid (CAS 53778-26-0), with molecular formula C11H15NO5 and molecular weight 241.10 g/mol. IUPAC: 2-nitrooxyadamantane-2-carboxylic acid.
Chemical Property Profile of 2-(Nitrooxy)-2-adamantanecarboxylic acid
Property Insights of 2-(Nitrooxy)-2-adamantanecarboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitrooxy)-2-adamantanecarboxylic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nitrooxy)-2-adamantanecarboxylic acid. Following Lipinski's Rule of Five, 2-(Nitrooxy)-2-adamantanecarboxylic 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
Frequently Asked Questions
What is the CAS number of 2-(Nitrooxy)-2-adamantanecarboxylic acid?
The CAS number of 2-(Nitrooxy)-2-adamantanecarboxylic acid is 53778-26-0.
What is the molecular formula of 2-(Nitrooxy)-2-adamantanecarboxylic acid?
The molecular formula of 2-(Nitrooxy)-2-adamantanecarboxylic acid is C11H15NO5.
What is the molecular weight of 2-(Nitrooxy)-2-adamantanecarboxylic acid?
The molecular weight of 2-(Nitrooxy)-2-adamantanecarboxylic acid is 241.10 g/mol.
Where can I buy 2-(Nitrooxy)-2-adamantanecarboxylic acid?
You can request a quote for 2-(Nitrooxy)-2-adamantanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitrooxy)-2-adamantanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitrooxy)-2-adamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.