TL;DR: 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one (CAS 1023847-59-7) is a chemical compound with molecular formula C21H20FN3OS and molecular weight 381.1311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butan-2-yl-5-[(3-fluorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
Also Known As: 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one, F6548-3581, 2-butan-2-yl-5-[(3-fluorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one, 2-sec-butyl-5-[(3-fluorobenzyl)thio]imidazo[1,2-c]quinazolin-3(2H)-one
| Molecular Formula | C21H20FN3OS |
| Molecular Weight | 381.1311 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1311 Da |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
| SMILES | CCC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F |
| InChIKey | XCPGOMWJQHEDEH-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one. Following Lipinski's Rule of Five, 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is 1023847-59-7.
The molecular formula of 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is C21H20FN3OS.
The molecular weight of 2-(butan-2-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is 381.1311 g/mol.
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