TL;DR: (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CAS 1212155-21-9) is a chemical compound with molecular formula C23H13F5N2O3 and molecular weight 460.08463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
Also Known As: (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione, (10aS)-2-[3-(pentafluorophenoxy)phenyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione, (S)-2-(3-(perfluorophenoxy)phenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
| Molecular Formula | C23H13F5N2O3 |
| Molecular Weight | 460.08463 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.08463 Da |
| Heavy Atoms | 33 |
| Complexity | 758.0 |
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC(=CC=C4)OC5=C(C(=C(C(=C5F)F)F)F)F |
| InChIKey | AKIOAGPAMZAYNN-HNNXBMFYSA-N |
The XLogP value of 4.5 indicates that (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is 1212155-21-9.
The molecular formula of (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is C23H13F5N2O3.
The molecular weight of (10aS)-2-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is 460.08463 g/mol.
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