TL;DR: 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 145628-69-9) is a chemical compound with molecular formula C18H24N2O and molecular weight 284.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 14,14-dimethyl-10-propyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one, 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 3,3-dimethyl-11-propyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 2,10-Diaza-5,5-dimethyl-9-propyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one
| Molecular Formula | C18H24N2O |
| Molecular Weight | 284.18887 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.18887 Da |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
| SMILES | CCCC1C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C3N1 |
| InChIKey | RQYKRFGOGGJDJY-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 145628-69-9.
The molecular formula of 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C18H24N2O.
The molecular weight of 9,9-dimethyl-6-propyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 284.18887 g/mol.
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