TL;DR: Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine (CAS 130919-56-1) is a chemical compound with molecular formula C6H6N4O8 and molecular weight 262.01855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.03,11.05,9]dodecane
Also Known As: dinitro[?], NCI60_014857, J2.142.374B, 4,10-Dinitro-2,6,8,12-teteraoxa-4,10-diazaisowurtzitane, 4,4 :5,5 -Bis(nitroimino)-2,2 -bi[1,3-dioxolane]
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H6N4O8 |
| Molecular Weight | 262.01855 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.01855 Da |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
| SMILES | C12C3N(C4C(N1[N+](=O)[O-])OC(O4)C(O2)O3)[N+](=O)[O-] |
| InChIKey | XXEQEMFCUFXLME-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine. Following Lipinski's Rule of Five, Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine is 130919-56-1.
The molecular formula of Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine is C6H6N4O8.
The molecular weight of Hexahydro-4,7-dinitro-5,2,6-(epoxymethenoxy)-1,3-dioxolo(4,5-b)pyrazine is 262.01855 g/mol.
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