TL;DR: N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan (CAS 1214214-07-9) 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-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: EiM07-29403, AO-022/43453841, N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan, 2-(2-((4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C26H26N2O7 |
| Molecular Weight | 478.174 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.174 Da |
| Heavy Atoms | 35 |
| Complexity | 846.0 |
| SMILES | CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | SSTKTMCDROXOIL-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-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-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan. Following Lipinski's Rule of Five, N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-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-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan is 1214214-07-9.
The molecular formula of N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan is C26H26N2O7.
The molecular weight of N-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan is 478.174 g/mol.
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