TL;DR: 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- (CAS 75057-64-6) is a chemical compound with molecular formula C19H13Br2N3O3S and molecular weight 520.9044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dibromo-2-[(2-methoxyphenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)-, 6,7-Dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)-4(3H)-quinazolinone, 6,7-Dibromo-2-[(2-methoxyphenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4(3H)-one, 6,7-dibromo-2-[(2-methoxyphenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one, BRN 1051014
| Molecular Formula | C19H13Br2N3O3S |
| Molecular Weight | 520.9044 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.9024 Da |
| Heavy Atoms | 28 |
| Complexity | 611.0 |
| SMILES | COC1=CC=CC=C1OCC2=NC3=CC(=C(C=C3C(=O)N2C4=NC=CS4)Br)Br |
| InChIKey | ASOVGPBHPZABRC-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- is 75057-64-6.
The molecular formula of 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- is C19H13Br2N3O3S.
The molecular weight of 4(3H)-Quinazolinone, 6,7-dibromo-2-((2-methoxyphenoxy)methyl)-3-(2-thiazolyl)- is 520.9044 g/mol.
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