TL;DR: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- (CAS 68501-51-9) is a chemical compound with molecular formula C22H16Br2N2O3 and molecular weight 513.95276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,8-dibromo-3-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
Also Known As: 5-24-04-00232 (Beilstein Handbook Reference), 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl-, 6,8-Dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl-4(3H)-quinazolinone, 6,8-Dibromo-3-(3,4-dihydroxyphenethyl)-2-phenylquinazolin-4(3H)-one, 6,8-dibromo-3-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
| Molecular Formula | C22H16Br2N2O3 |
| Molecular Weight | 513.95276 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.95074 Da |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2CCC4=CC(=C(C=C4)O)O |
| InChIKey | YHPHMHKMZQUGMW-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- has 2 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-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- is 68501-51-9.
The molecular formula of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- is C22H16Br2N2O3.
The molecular weight of 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-(3,4-dihydroxyphenyl)ethyl)-2-phenyl- is 513.95276 g/mol.
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