TL;DR: 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one (CAS 159211-12-8) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Also Known As: 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one, J2.750.872C, AF-872/33879003, 2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one, 9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
| SMILES | CC12CC(C3=CC=CC=C3O1)NC(=O)N2 |
| InChIKey | WEWAKYHNJXBLCN-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one. With a topological polar surface area (TPSA) of 50.4 Ų, 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one is 159211-12-8.
The molecular formula of 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one is C11H12N2O2.
The molecular weight of 9-Methyl-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-11-one is 204.08987 g/mol.
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