TL;DR: 231Pa (CAS 14173-61-6) is a chemical compound with molecular formula C4H8N8O12 and molecular weight 360.02615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[nitro-[[nitro-[[nitro(nitrooxymethyl)amino]methyl]amino]methyl]amino]methyl nitrate
Also Known As: 231Pa, KST-1A1403, Protactinium, isotope of mass 231, (nitroimino)bis[methylene(nitroimino)methylene] dinitrate, ((Nitroimino)bis(methylene(nitroimino)))dimethyl dinitrate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H8N8O12 |
| Molecular Weight | 360.02615 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 257.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.02615 Da |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
| SMILES | C(N(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N(CO[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BHPZBCWRQHQTKJ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 231Pa. The TPSA of 257.0 Ų indicates high polarity, suggesting 231Pa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 231Pa has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 231Pa is 14173-61-6.
The molecular formula of 231Pa is C4H8N8O12.
The molecular weight of 231Pa is 360.02615 g/mol.
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