TL;DR: 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide (CAS 302553-81-7) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-3-oxido-5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium-10b-ol
Also Known As: 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide, 6,10b-dihydroxy-5,5a,6,6a,7,8,9,10,10a,10b-decahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole 3-oxide, 6-hydroxy-3-oxido-5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium-10b-ol
| Molecular Formula | C12H17N3O4 |
| Molecular Weight | 267.12192 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.12192 Da |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
| SMILES | C1CCC2C(C1)C3(C(N2O)CCC4=[N+](ON=C43)[O-])O |
| InChIKey | UCVCSJWSCKNRFP-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide. Following Lipinski's Rule of Five, 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide is 302553-81-7.
The molecular formula of 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide is C12H17N3O4.
The molecular weight of 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide is 267.12192 g/mol.
You can request a quote for 5,5a,6a,7,8,9,10,10a-octahydro-4H-[1,2,5]oxadiazolo[3,4-c]carbazole-6,10b-diol 3-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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