TL;DR: 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one (CAS 1214102-54-1) is a chemical compound with molecular formula C22H22FN3O3S and molecular weight 427.1366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-fluorophenyl)methylsulfanyl]-8,9-dimethoxy-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one
Also Known As: 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one, 7R-0350, 5-[(3-fluorophenyl)methylsulfanyl]-8,9-dimethoxy-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one, 5-{[(3-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-3-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-2-one
| Molecular Formula | C22H22FN3O3S |
| Molecular Weight | 427.1366 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1366 Da |
| Heavy Atoms | 30 |
| Complexity | 716.0 |
| SMILES | CC(C)C1C(=O)N=C2N1C(=NC3=CC(=C(C=C32)OC)OC)SCC4=CC(=CC=C4)F |
| InChIKey | JIBGAQKPUCEYOB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one. Following Lipinski's Rule of Five, 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 1214102-54-1.
The molecular formula of 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is C22H22FN3O3S.
The molecular weight of 5-[(3-fluorobenzyl)sulfanyl]-3-isopropyl-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 427.1366 g/mol.
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