TL;DR: 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan (CAS 1214640-21-7) is a chemical compound with molecular formula C22H18N2O7 and molecular weight 422.1114 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-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
Also Known As: 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic Acid
| Molecular Formula | C22H18N2O7 |
| Molecular Weight | 422.1114 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1114 Da |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | OJKUBXKLEAFYTL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan. Following Lipinski's Rule of Five, 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}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-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan is 1214640-21-7.
The molecular formula of 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan is C22H18N2O7.
The molecular weight of 5-hydroxy-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophan is 422.1114 g/mol.
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