TL;DR: 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214689-08-3) is a chemical compound with molecular formula C25H24N2O8 and molecular weight 480.15326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-[(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-5-hydroxytryptophan, 2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C25H24N2O8 |
| Molecular Weight | 480.15326 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.15326 Da |
| Heavy Atoms | 35 |
| Complexity | 860.0 |
| SMILES | CC1=C(C(=O)OC2=C1C(=CC(=C2)OC)OC)CC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | DYDCOOFYHUGLHY-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214689-08-3.
The molecular formula of 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C25H24N2O8.
The molecular weight of 2-(2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 480.15326 g/mol.
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