TL;DR: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- (CAS 108659-73-0) is a chemical compound with molecular formula C19H18Br2N2O4S and molecular weight 527.9354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,8-dibromo-3-(2-methoxyphenyl)-2-(propylsulfonylmethyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)-, 6,8-Dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)-4(3H)-quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-(propylsulfonylmethyl)quinazolin-4-one, 6,8-Dibromo-3-(2-methoxyphenyl)-2-[(propane-1-sulfonyl)methyl]quinazolin-4(3H)-one, 6,8-dibromo-3-(2-methoxyphenyl)-2-[(propylsulfonyl)methyl]quinazolin-4(3h)-one
| Molecular Formula | C19H18Br2N2O4S |
| Molecular Weight | 527.9354 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.93335 Da |
| Heavy Atoms | 28 |
| Complexity | 709.0 |
| SMILES | CCCS(=O)(=O)CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3OC |
| InChIKey | TWHIXWVZZIJWHF-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- is 108659-73-0.
The molecular formula of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- is C19H18Br2N2O4S.
The molecular weight of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)- is 527.9354 g/mol.
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