TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid (CAS 1214004-53-1) is a chemical compound with molecular formula C31H24N2O7 and molecular weight 536.1583 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-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid, 5-hydroxy-N-[(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]tryptophan, 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
| Molecular Formula | C31H24N2O7 |
| Molecular Weight | 536.1583 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.1583 Da |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4)CC(=O)NC(CC5=CNC6=C5C=C(C=C6)O)C(=O)O |
| InChIKey | DPEKBLYJJNXERV-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)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-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is 1214004-53-1.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is C31H24N2O7.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is 536.1583 g/mol.
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