TL;DR: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid (CAS 1214177-90-8) is a chemical compound with molecular formula C30H28N2O7 and molecular weight 528.18964 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-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
Also Known As: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid, 3-(5-hydroxy-1H-indol-3-yl)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid, 5-hydroxy-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]tryptophan
| Molecular Formula | C30H28N2O7 |
| Molecular Weight | 528.18964 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.18964 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C4=C(O3)CCCC4)CCC(=O)NC(CC5=CNC6=C5C=C(C=C6)O)C(=O)O |
| InChIKey | GLMPJQOQSDJBLO-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 3-(5-hydroxy-1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)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-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)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-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)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-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is 1214177-90-8.
The molecular formula of 3-(5-hydroxy-1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is C30H28N2O7.
The molecular weight of 3-(5-hydroxy-1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid is 528.18964 g/mol.
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