TL;DR: N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan (CAS 1213978-87-0) 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.
2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: EiM07-29405, AB00863988-06, N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan, 2-(2-((4-butyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic Acid
| Molecular Formula | C26H26N2O7 |
| Molecular Weight | 478.174 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.174 Da |
| Heavy Atoms | 35 |
| Complexity | 816.0 |
| SMILES | CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | PILODEJWJAFZST-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan 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 N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan. Following Lipinski's Rule of Five, N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan 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 N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan is 1213978-87-0.
The molecular formula of N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan is C26H26N2O7.
The molecular weight of N-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan is 478.174 g/mol.
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