TL;DR: 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214803-47-0) is a chemical compound with molecular formula C24H22N2O7 and molecular weight 450.1427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan, 2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic Acid, 2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C24H22N2O7 |
| Molecular Weight | 450.1427 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.1427 Da |
| Heavy Atoms | 33 |
| Complexity | 813.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C |
| InChIKey | DLWHAYISQKAJTF-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214803-47-0.
The molecular formula of 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C24H22N2O7.
The molecular weight of 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 450.1427 g/mol.
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