2-Cyano-2-nitroadamantane
TL;DR: 2-Cyano-2-nitroadamantane (CAS 128478-71-7) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitroadamantane-2-carbonitrile
Also Known As: 2-Cyano-2-nitroadamantane, 2-nitroadamantane-2-carbonitrile, J3.445.724G, (1r,3r,5r,7r)-2-nitroadamantane-2-carbonitrile, Tricyclo[3.3.1.13,7]decane-2-carbonitrile,2-nitro-
Technical Specifications
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.10553 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.10553 Da |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
| SMILES | C1C2CC3CC1CC(C2)C3(C#N)[N+](=O)[O-] |
| InChIKey | XQLWYBZMHPYUES-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyano-2-nitroadamantane
Property Insights of 2-Cyano-2-nitroadamantane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-nitroadamantane. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-nitroadamantane. Following Lipinski's Rule of Five, 2-Cyano-2-nitroadamantane has 0 hydrogen bond donor(s) and 3 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-Cyano-2-nitroadamantane?
The CAS number of 2-Cyano-2-nitroadamantane is 128478-71-7.
What is the molecular formula of 2-Cyano-2-nitroadamantane?
The molecular formula of 2-Cyano-2-nitroadamantane is C11H14N2O2.
What is the molecular weight of 2-Cyano-2-nitroadamantane?
The molecular weight of 2-Cyano-2-nitroadamantane is 206.10553 g/mol.
Where can I buy 2-Cyano-2-nitroadamantane?
You can request a quote for 2-Cyano-2-nitroadamantane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-2-nitroadamantane?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-2-nitroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.