TL;DR: 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol (CAS 164355-88-8) is a chemical compound with molecular formula C13H18N4O4 and molecular weight 294.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
Also Known As: 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol, 7-(N-morpholinyl)-7-methyl-8a-hydroxy-4,5,8,8a-tetrahydro-7h-pyrrolo[3,2-e]-2,1,3-benzoxadiazole 6-oxide, 7-methyl-7-(4-morpholinyl)-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol, 7-methyl-7-(morpholin-4-yl)-4,5,7,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 6-oxide, 7-methyl-7-morpholin-4-yl-6-oxidanidyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
| Molecular Formula | C13H18N4O4 |
| Molecular Weight | 294.1328 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.1328 Da |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
| SMILES | CC1(CC2(C(=[N+]1[O-])CCC3=NON=C32)O)N4CCOCC4 |
| InChIKey | HCRTYOPGOIYNCG-UHFFFAOYSA-N |
The XLogP value of -1.8 indicates that 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol. Following Lipinski's Rule of Five, 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is 164355-88-8.
The molecular formula of 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is C13H18N4O4.
The molecular weight of 7-methyl-7-morpholin-4-yl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is 294.1328 g/mol.
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