TL;DR: N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester (CAS 110009-09-1) is a chemical compound with molecular formula C17H21Br2N3O3 and molecular weight 472.99496 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-(diethylamino)acetate
Also Known As: N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, Glycine, N,N-diethyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(diethylamino)acetate, Glycine, N,N-diethyl-,2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-diethylglycinate
| Molecular Formula | C17H21Br2N3O3 |
| Molecular Weight | 472.99496 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.99496 Da |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
| SMILES | CCN(CC)CC(=O)OCCN1C(=NC2=C(C1=O)C=C(C=C2Br)Br)C |
| InChIKey | XVUJEYJYBBIJPU-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester. Following Lipinski's Rule of Five, N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester has 0 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 N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is 110009-09-1.
The molecular formula of N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is C17H21Br2N3O3.
The molecular weight of N,N-Diethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester is 472.99496 g/mol.
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