TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid (CAS 1214693-98-7) is a chemical compound with molecular formula C26H24N2O7 and molecular weight 476.15836 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-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid, 5-hydroxy-N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]propanoic acid
| Molecular Formula | C26H24N2O7 |
| Molecular Weight | 476.15836 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.15836 Da |
| Heavy Atoms | 35 |
| Complexity | 874.0 |
| SMILES | C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)OC2=O |
| InChIKey | RXEFVDDEICTLKV-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid 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 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid 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 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid is 1214693-98-7.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid is C26H24N2O7.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid is 476.15836 g/mol.
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