TL;DR: 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214215-67-4) is a chemical compound with molecular formula C24H21ClN2O7 and molecular weight 484.10373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-5-hydroxytryptophan, 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C24H21ClN2O7 |
| Molecular Weight | 484.10373 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.10373 Da |
| Heavy Atoms | 34 |
| Complexity | 849.0 |
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | SESXRBGAGSCTCI-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)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 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)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 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214215-67-4.
The molecular formula of 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C24H21ClN2O7.
The molecular weight of 2-(2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 484.10373 g/mol.
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