2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane
TL;DR: 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane (CAS 129886-84-6) is a chemical compound with molecular formula C10H16N4O4 and molecular weight 256.11716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane, AE-848/33858014, 2,2-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1s,3s,5s,7s)-2,2-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2,2-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Technical Specifications
| Molecular Formula | C10H16N4O4 |
| Molecular Weight | 256.11716 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.11716 Da |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
| SMILES | CC1(N2CC3(CC(C2)(CN1C3)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | QGVZRJVGQDBRKC-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane
Property Insights of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane. Following Lipinski's Rule of Five, 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane?
The CAS number of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane is 129886-84-6.
What is the molecular formula of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane?
The molecular formula of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane is C10H16N4O4.
What is the molecular weight of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane?
The molecular weight of 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane is 256.11716 g/mol.
Where can I buy 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane?
You can request a quote for 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-5,7-dinitro-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.