TL;DR: 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan (CAS 1214692-03-1) 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.
3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
Also Known As: EiM07-29402, 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)propanoic acid, 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic Acid, 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]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 | 800.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | KVDDDSCQLKBLQF-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan. Following Lipinski's Rule of Five, 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan 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 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan is 1214692-03-1.
The molecular formula of 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan is C24H22N2O7.
The molecular weight of 5-hydroxy-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}tryptophan is 450.1427 g/mol.
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