TL;DR: 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine (CAS 153931-78-3) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,11-dimethoxy-7,7-dimethyl-5,6-dihydrotetrazolo[5,1-a][2]benzazepine
Also Known As: NCI60_020754, 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine, 8,11-dimethoxy-7,7-dimethyl-5,6-dihydrotetrazolo[5,1-a][2]benzazepine, 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
| Molecular Formula | C14H18N4O2 |
| Molecular Weight | 274.14297 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.14297 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CC1(CCN2C(=NN=N2)C3=C(C=CC(=C31)OC)OC)C |
| InChIKey | RCSRDNWLRMMEKT-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine. Following Lipinski's Rule of Five, 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine is 153931-78-3.
The molecular formula of 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine is C14H18N4O2.
The molecular weight of 8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine is 274.14297 g/mol.
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