TL;DR: Oxo[2-(propionylamino)phenyl]acetic acid (CAS 352330-66-6) is a chemical compound with molecular formula C17H14N4O2S2 and molecular weight 370.05582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: Oxo[2-(propionylamino)phenyl]acetic acid, BAS 02589715, 2-[(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-((3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-(3-Cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
| Molecular Formula | C17H14N4O2S2 |
| Molecular Weight | 370.05582 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.05582 Da |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CC=C3 |
| InChIKey | SKWHBOSBPBZVDA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxo[2-(propionylamino)phenyl]acetic acid. The TPSA of 148.0 Ų indicates high polarity, suggesting Oxo[2-(propionylamino)phenyl]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxo[2-(propionylamino)phenyl]acetic acid has 2 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 Oxo[2-(propionylamino)phenyl]acetic acid is 352330-66-6.
The molecular formula of Oxo[2-(propionylamino)phenyl]acetic acid is C17H14N4O2S2.
The molecular weight of Oxo[2-(propionylamino)phenyl]acetic acid is 370.05582 g/mol.
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