TL;DR: Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- (CAS 113849-25-5) is a chemical compound with molecular formula C23H18Br2N4O4S and molecular weight 603.9415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea
Also Known As: Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)-, 1-[4-(6,8-dibromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea, 1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea, 4-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-[(4-methylphenyl)carbamoyl]benzene-1-sulfonamide
| Molecular Formula | C23H18Br2N4O4S |
| Molecular Weight | 603.9415 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 603.9415 Da |
| Heavy Atoms | 34 |
| Complexity | 908.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C |
| InChIKey | WPOADMZDFAPGQR-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)-. Following Lipinski's Rule of Five, Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- is 113849-25-5.
The molecular formula of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- is C23H18Br2N4O4S.
The molecular weight of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(((4-methylphenyl)amino)carbonyl)- is 603.9415 g/mol.
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