TL;DR: (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide (CAS 1173677-32-1) is a chemical compound with molecular formula C23H33N3O4 and molecular weight 415.2471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(3-propan-2-yloxypropyl)hexanamide
Also Known As: (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide, 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[3-(propan-2-yloxy)propyl]hexanamide, 6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(3-propan-2-yloxypropyl)hexanamide
| Molecular Formula | C23H33N3O4 |
| Molecular Weight | 415.2471 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 415.2471 Da |
| Heavy Atoms | 30 |
| Complexity | 609.0 |
| SMILES | CC(C)OCCCNC(=O)CCCCCN1C(=O)[C@@H]2CC3=CC=CC=C3CN2C1=O |
| InChIKey | RUUPHNIQPPWDIX-FQEVSTJZSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide. Following Lipinski's Rule of Five, (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide 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)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide is 1173677-32-1.
The molecular formula of (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide is C23H33N3O4.
The molecular weight of (S)-6-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(3-isopropoxypropyl)hexanamide is 415.2471 g/mol.
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