TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid (CAS 1214805-57-8) is a chemical compound with molecular formula C26H26N2O7 and molecular weight 478.174 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-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid, 5-hydroxy-N-{2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(2-oxo-4-propyl-chromen-7-yl)oxypropanoylamino]propanoic Acid, 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]propanoic acid
| Molecular Formula | C26H26N2O7 |
| Molecular Weight | 478.174 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.174 Da |
| Heavy Atoms | 35 |
| Complexity | 831.0 |
| SMILES | CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | ZIVZJOWPSQQQRQ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)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 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid is 1214805-57-8.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid is C26H26N2O7.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)propanamido)propanoic acid is 478.174 g/mol.
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