TL;DR: (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide (CAS 1212073-62-5) is a chemical compound with molecular formula C24H18FN3O3 and molecular weight 415.1332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(4-fluorophenyl)benzamide
Also Known As: (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide, 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-fluorophenyl)benzamide, 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(4-fluorophenyl)benzamide
| Molecular Formula | C24H18FN3O3 |
| Molecular Weight | 415.1332 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.1332 Da |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)F |
| InChIKey | YESCEBJVKLTPBQ-NRFANRHFSA-N |
The XLogP value of 3.4 indicates that (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide. Following Lipinski's Rule of Five, (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide has 1 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 (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide is 1212073-62-5.
The molecular formula of (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide is C24H18FN3O3.
The molecular weight of (S)-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(4-fluorophenyl)benzamide is 415.1332 g/mol.
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