TL;DR: 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one (CAS 1023550-35-7) is a chemical compound with molecular formula C21H17Cl2N3O2S and molecular weight 445.04184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
Also Known As: 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one, F6548-3588, 5-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one, 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]thio}-2-isopropylimidazo[1,2-c]quinazolin-3(2H)-one
| Molecular Formula | C21H17Cl2N3O2S |
| Molecular Weight | 445.04184 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.04184 Da |
| Heavy Atoms | 29 |
| Complexity | 741.0 |
| SMILES | CC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | TYEXQZZQGAFPEM-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-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 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one. Following Lipinski's Rule of Five, 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one is 1023550-35-7.
The molecular formula of 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one is C21H17Cl2N3O2S.
The molecular weight of 5-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one is 445.04184 g/mol.
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