TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid (CAS 1214006-09-3) is a chemical compound with molecular formula C30H26N2O8 and molecular weight 542.16895 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-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid, 5-hydroxy-N-({[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid
| Molecular Formula | C30H26N2O8 |
| Molecular Weight | 542.16895 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.16895 Da |
| Heavy Atoms | 40 |
| Complexity | 963.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O |
| InChIKey | CFRMMCCRNKCUIX-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 1214006-09-3.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is C30H26N2O8.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 542.16895 g/mol.
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