TL;DR: 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one (CAS 1031423-05-8) is a chemical compound with molecular formula C26H22ClN3O3S and molecular weight 491.10703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
Also Known As: 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one, 6R-0231, 3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one, 3-benzyl-5-{[(3-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2H,3H-imidazo[1,2-c]quinazolin-2-one, 3-benzyl-5-{[(3-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
| Molecular Formula | C26H22ClN3O3S |
| Molecular Weight | 491.10703 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.10703 Da |
| Heavy Atoms | 34 |
| Complexity | 802.0 |
| SMILES | COC1=C(C=C2C(=C1)C3=NC(=O)C(N3C(=N2)SCC4=CC(=CC=C4)Cl)CC5=CC=CC=C5)OC |
| InChIKey | RFFJLQMETKYQEK-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-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 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one. Following Lipinski's Rule of Five, 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 1031423-05-8.
The molecular formula of 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is C26H22ClN3O3S.
The molecular weight of 3-benzyl-5-[(3-chlorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 491.10703 g/mol.
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