TL;DR: 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1) (CAS 37126-73-1) is a chemical compound with molecular formula C25H32N2O5 and molecular weight 440.2311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)propyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
Also Known As: 2,3-Dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-1H-indole oxalate, 1H-INDOLE, 2,3-DIHYDRO-3-ETHYL-1-(3-(MORPHOLINO)PROPYL)-3-PHENYL-, OXALATE (1:1), 4-[3-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)propyl]morpholin-4-ium;2-hydroxy-2-oxoacetate, 4-[3-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)propyl]morpholin-4-ium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C25H32N2O5 |
| Molecular Weight | 440.2311 g/mol |
| XLogP | 0.69 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2311 Da |
| Heavy Atoms | 32 |
| Complexity | 508.0 |
| SMILES | CCC1(C(NC2=CC=CC=C21)CCC[NH+]3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O |
| InChIKey | YSZIHDISSXONBV-UHFFFAOYSA-N |
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1). The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1). Following Lipinski's Rule of Five, 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1) has 3 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 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1) is 37126-73-1.
The molecular formula of 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1) is C25H32N2O5.
The molecular weight of 1H-Indole, 2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-, oxalate (1:1) is 440.2311 g/mol.
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