TL;DR: Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester (CAS 110022-76-9) is a chemical compound with molecular formula C19H17Br2N3O3 and molecular weight 492.96368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-anilinoacetate
Also Known As: GLYCINE, N-PHENYL-, 2-(6,8-DIBROMO-2-METHYL-4-OXO-3(4H)-QUINAZOLINYL)ETHYL ESTER, N-Phenylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl anilinoacetate, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-anilinoacetate, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4h)-yl)ethyl n-phenylglycinate
| Molecular Formula | C19H17Br2N3O3 |
| Molecular Weight | 492.96368 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.9616 Da |
| Heavy Atoms | 27 |
| Complexity | 581.0 |
| SMILES | CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNC3=CC=CC=C3 |
| InChIKey | MOPMVAJJRVXFKE-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester. Following Lipinski's Rule of Five, Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is 110022-76-9.
The molecular formula of Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is C19H17Br2N3O3.
The molecular weight of Glycine, N-phenyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is 492.96368 g/mol.
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