TL;DR: 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- (CAS 144109-21-7) is a chemical compound with molecular formula C22H20ClN3O and molecular weight 377.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[(4-chlorophenyl)methyl]-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
Also Known As: 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)-, 10,11,12,12a-Tetrahydro-11-(4-chlorobenzyl)-8H,9H-3a,8a,11-triazadibenz[e,h]azulen-9-one, 13-[(4-Chlorophenyl)methyl]-12,13,14,14a-tetrahydro-9H,11H-pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-11-one, 9-[(4-chlorophenyl)methyl]-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
| Molecular Formula | C22H20ClN3O |
| Molecular Weight | 377.1295 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1295 Da |
| Heavy Atoms | 27 |
| Complexity | 550.0 |
| SMILES | C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CN1CC5=CC=C(C=C5)Cl |
| InChIKey | NTFVRGIIXIQBFW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- is 144109-21-7.
The molecular formula of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- is C22H20ClN3O.
The molecular weight of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-((4-chlorophenyl)methyl)- is 377.1295 g/mol.
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