TL;DR: 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione (CAS 132719-56-3) is a chemical compound with molecular formula C6H10N6O2 and molecular weight 198.08652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
Also Known As: NCI60_031174, Octahydrodiimidazo[4,5-b:4',5'-e]pyrazine-2,6(1H,3H)-dione
| Molecular Formula | C6H10N6O2 |
| Molecular Weight | 198.08652 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.08652 Da |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
| SMILES | C12C(NC3C(N1)NC(=O)N3)NC(=O)N2 |
| InChIKey | ZHKQZNWRAUJBQK-UHFFFAOYSA-N |
The XLogP value of -2.4 indicates that 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione. Following Lipinski's Rule of Five, 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is 132719-56-3.
The molecular formula of 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is C6H10N6O2.
The molecular weight of 2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is 198.08652 g/mol.
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