TL;DR: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- (CAS 108659-78-5) is a chemical compound with molecular formula C18H15Br2ClN2O3S and molecular weight 531.88586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,8-dibromo-3-(2-chlorophenyl)-2-(propylsulfonylmethyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)-, 6,8-Dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)-4(3H)-quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-(propylsulfonylmethyl)quinazolin-4-one, 6,8-Dibromo-3-(2-chlorophenyl)-2-[(propane-1-sulfonyl)methyl]quinazolin-4(3H)-one
| Molecular Formula | C18H15Br2ClN2O3S |
| Molecular Weight | 531.88586 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.88385 Da |
| Heavy Atoms | 27 |
| Complexity | 697.0 |
| SMILES | CCCS(=O)(=O)CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3Cl |
| InChIKey | DIIQKGAOQNKMOS-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- is 108659-78-5.
The molecular formula of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- is C18H15Br2ClN2O3S.
The molecular weight of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylsulfonyl)methyl)- is 531.88586 g/mol.
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