TL;DR: (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid (CAS 151094-79-0) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
Also Known As: EiM08-06370, (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoic Acid, (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid, (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)propanoic acid, 2-(2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)PROPANOIC ACID
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.06406 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06406 Da |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
| SMILES | C[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2NC1=O |
| InChIKey | YJYPPYZFHRALHS-LURJTMIESA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid is 151094-79-0.
The molecular formula of (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid is C11H10N2O4.
The molecular weight of (S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanoic acid is 234.06406 g/mol.
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