TL;DR: 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one (CAS 1022505-60-7) is a chemical compound with molecular formula C20H19ClFN3O and molecular weight 371.12006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
Also Known As: 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one, 10-(2-chloro-6-fluorophenyl)-14,14-dimethyl-2,7,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 6-(2-chloro-6-fluoro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one, C20H19ClFN3O
| Molecular Formula | C20H19ClFN3O |
| Molecular Weight | 371.12006 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.12006 Da |
| Heavy Atoms | 26 |
| Complexity | 608.0 |
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC=N3)C4=C(C=CC=C4Cl)F)C(=O)C1)C |
| InChIKey | JZIBEWSPFWNQSX-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[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 54.0 Ų, 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[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, 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one has 2 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 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 1022505-60-7.
The molecular formula of 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is C20H19ClFN3O.
The molecular weight of 2,10,12-triaza-9-(6-chloro-2-fluorophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 371.12006 g/mol.
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