TL;DR: ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 1025063-02-8) is a chemical compound with molecular formula C24H25N3O5 and molecular weight 435.1794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-(3-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-(3-{[2-(5-methoxyindol-3-yl)ethyl]amino}-2,5-dioxoazolidinyl)benzoate, Ethyl 4-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxo-pyrrolidin-1-yl]benzoate, ethyl 4-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C24H25N3O5 |
| Molecular Weight | 435.1794 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.1794 Da |
| Heavy Atoms | 32 |
| Complexity | 693.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CNC4=C3C=C(C=C4)OC |
| InChIKey | QBFIHIMIERYUPQ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate is 1025063-02-8.
The molecular formula of ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate is C24H25N3O5.
The molecular weight of ethyl 4-(3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate is 435.1794 g/mol.
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