TL;DR: RefChem:239961 (CAS 160662-11-3) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
Also Known As: 1H-Pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester, Ethyl 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-1H-pyrazole-4-acetate, ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate, 1-Methyl-5-[2-ethyl-4-oxoquinazolin-3(4H)-yl]-1H-pyrazole-4-acetic acid ethyl ester, Ethyl [5-(2-ethyl-4-oxoquinazolin-3(4H)-yl)-1-methyl-1H-pyrazol-4-yl]acetate
| Molecular Formula | C18H20N4O3 |
| Molecular Weight | 340.15353 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.15353 Da |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
| SMILES | CCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=NN3C)CC(=O)OCC |
| InChIKey | NNRPUEWRBMWEBT-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239961. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239961. Following Lipinski's Rule of Five, RefChem:239961 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 RefChem:239961 is 160662-11-3.
The molecular formula of RefChem:239961 is C18H20N4O3.
The molecular weight of RefChem:239961 is 340.15353 g/mol.
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