TL;DR: 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid (CAS 1024530-49-1) is a chemical compound with molecular formula C12H9N3O3S and molecular weight 275.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetic acid
Also Known As: 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid, F0918-6867, 2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetic acid, 2-(3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl)acetic acid
| Molecular Formula | C12H9N3O3S |
| Molecular Weight | 275.03647 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.03647 Da |
| Heavy Atoms | 19 |
| Complexity | 630.0 |
| SMILES | C1=CC2=C3NC(C(=O)N3C(=S)N=C2C=C1)CC(=O)O |
| InChIKey | CFEXRWOFIWKEJR-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid. Following Lipinski's Rule of Five, 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid has 2 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 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid is 1024530-49-1.
The molecular formula of 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid is C12H9N3O3S.
The molecular weight of 2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetic acid is 275.03647 g/mol.
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