TL;DR: 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one (CAS 1022739-09-8) is a chemical compound with molecular formula C23H25FN2O and molecular weight 364.1951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-fluorophenyl)-9-(2-methylpropyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 6-(4-fluorophenyl)-9-(2-methylpropyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 6-(4-fluorophenyl)-9-isobutyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(4-fluorophenyl)-14-(2-methylpropyl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, C23H25FN2O
| Molecular Formula | C23H25FN2O |
| Molecular Weight | 364.1951 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1951 Da |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
| SMILES | CC(C)CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)F)C(=O)C1 |
| InChIKey | XQSDHWVDSCIDNP-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-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, 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 1022739-09-8.
The molecular formula of 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is C23H25FN2O.
The molecular weight of 2,10-diaza-9-(4-fluorophenyl)-5-(2-methylpropyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 364.1951 g/mol.
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