TL;DR: 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- (CAS 73342-56-0) is a chemical compound with molecular formula C18H10Br2ClN3O2S and molecular weight 524.8549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)-, 2-((2-Chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)-4(3H)-quinazolinone, 6,7-Dibromo-2-[(2-chlorophenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4(3H)-one, 6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one, BRN 1049672
| Molecular Formula | C18H10Br2ClN3O2S |
| Molecular Weight | 524.8549 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.85284 Da |
| Heavy Atoms | 27 |
| Complexity | 599.0 |
| SMILES | C1=CC=C(C(=C1)OCC2=NC3=CC(=C(C=C3C(=O)N2C4=NC=CS4)Br)Br)Cl |
| InChIKey | DRTPKUFXZKEPFC-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- 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, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- is 73342-56-0.
The molecular formula of 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- is C18H10Br2ClN3O2S.
The molecular weight of 4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-6,7-dibromo-3-(2-thiazolyl)- is 524.8549 g/mol.
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