TL;DR: 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide (CAS 150012-68-3) is a chemical compound with molecular formula C11H16N6O4 and molecular weight 296.1233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-3-[1-(5-hydroxy-4-methyl-2H-1,2,5-oxadiazol-3-yl)-5H-1,4-diazepin-4-yl]-4-methyl-2H-1,2,5-oxadiazole
Also Known As: 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide, Hexahydro-1,4-bis(methylfurazanyl)-1H-1,4-diazepine N(sup 1),N(sup 4)-dioxide, N,N'-Bis(3-methyl-2-oxo-1,2,5-oxadiazol-4-yl)hexahydro-1,4-diazepine, 4,4'-(1H-1,4-Diazepine-1,4(5H)-diyl)bis(3-methyl-1,2,5-oxadiazol-2(5H)-ol), 5-hydroxy-3-[1-(5-hydroxy-4-methyl-2H-1,2,5-oxadiazol-3-yl)-5H-1,4-diazepin-4-yl]-4-methyl-2H-1,2,5-oxadiazole
| Molecular Formula | C11H16N6O4 |
| Molecular Weight | 296.1233 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1233 Da |
| Heavy Atoms | 21 |
| Complexity | 557.0 |
| SMILES | CC1=C(NON1O)N2CC=CN(C=C2)C3=C(N(ON3)O)C |
| InChIKey | BPGUPYOPMIBBPM-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide. Following Lipinski's Rule of Five, 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide has 4 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 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide is 150012-68-3.
The molecular formula of 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide is C11H16N6O4.
The molecular weight of 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide is 296.1233 g/mol.
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