TL;DR: Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- (CAS 102244-04-2) is a chemical compound with molecular formula C17H10N4O2S and molecular weight 334.05246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-nitroquinolin-8-yl)sulfanylquinazoline
Also Known As: Quinazoline, 4-((5-nitro-8-quinolinyl)thio)-, 4-((5-Nitro-8-quinolinyl)thio)quinazoline, 4-(5-nitroquinolin-8-yl)sulfanylquinazoline, 4-[(5-NITROQUINOLIN-8-YL)SULFANYL]QUINAZOLINE, BRN 5606974
| Molecular Formula | C17H10N4O2S |
| Molecular Weight | 334.05246 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.05246 Da |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
| SMILES | C1=CC=C2C(=C1)C(=NC=N2)SC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4 |
| InChIKey | JAXSMLDYFOFCOJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 4-((5-nitro-8-quinolinyl)thio)-. Following Lipinski's Rule of Five, Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- is 102244-04-2.
The molecular formula of Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- is C17H10N4O2S.
The molecular weight of Quinazoline, 4-((5-nitro-8-quinolinyl)thio)- is 334.05246 g/mol.
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