TL;DR: 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one (CAS 1023556-70-8) is a chemical compound with molecular formula C20H18ClFN2O and molecular weight 356.10916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-chloro-6-fluorophenyl)-9-methyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 6-(2-chloro-6-fluorophenyl)-9-methyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(2-chloro-6-fluorophenyl)-14-methyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 6-(2-chloro-6-fluoro-phenyl)-9-methyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, C20H18ClFN2O
| Molecular Formula | C20H18ClFN2O |
| Molecular Weight | 356.10916 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.10916 Da |
| Heavy Atoms | 25 |
| Complexity | 566.0 |
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC=C4Cl)F)C(=O)C1 |
| InChIKey | PTQXMIPISJQQOF-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[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-(2-chloro-6-fluorophenyl)-5-methyltricyclo[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-(2-chloro-6-fluorophenyl)-5-methyltricyclo[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), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 1023556-70-8.
The molecular formula of 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is C20H18ClFN2O.
The molecular weight of 2,10-diaza-9-(2-chloro-6-fluorophenyl)-5-methyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 356.10916 g/mol.
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