TL;DR: 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid (CAS 1008866-60-1) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid
Also Known As: 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid, {[3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}(phenyl)acetic acid, 2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-2-phenyl-acetic Acid, 2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid
| Molecular Formula | C21H19NO6 |
| Molecular Weight | 381.12125 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.12125 Da |
| Heavy Atoms | 28 |
| Complexity | 651.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(C3=CC=CC=C3)C(=O)O |
| InChIKey | SENWQXATZZWXQH-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid has 3 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 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid is 1008866-60-1.
The molecular formula of 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid is C21H19NO6.
The molecular weight of 2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)-2-phenylacetic acid is 381.12125 g/mol.
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