TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid (CAS 1214167-10-8) is a chemical compound with molecular formula C23H20N2O7 and molecular weight 436.12704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid, 5-hydroxy-N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
| Molecular Formula | C23H20N2O7 |
| Molecular Weight | 436.12704 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.12704 Da |
| Heavy Atoms | 32 |
| Complexity | 797.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | GRTGILMUNLVPMB-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid has 5 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 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is 1214167-10-8.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is C23H20N2O7.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is 436.12704 g/mol.
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