TL;DR: Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride (CAS 57647-50-4) is a chemical compound with molecular formula C24H35Cl3N4 and molecular weight 484.19272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5-chloro-3-phenylindol-1-yl)-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride
Also Known As: 1-(Bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenylindole dihydrochloride, INDOLE, 1-(BIS(3-(DIMETHYLAMINO)PROPYL)AMINO)-5-CHLORO-3-PHENYL-,DIHYDROCHLORIDE, 3-[(5-chloro-3-phenylindol-1-yl)-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H35Cl3N4 |
| Molecular Weight | 484.19272 g/mol |
| XLogP | -4.02 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.19272 Da |
| Heavy Atoms | 31 |
| Complexity | 452.0 |
| SMILES | C[NH+](C)CCCN(CCC[NH+](C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | CJBKKAHGVLBKOC-UHFFFAOYSA-N |
The XLogP value of -4.02 indicates that Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride is 57647-50-4.
The molecular formula of Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride is C24H35Cl3N4.
The molecular weight of Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenyl-,dihydrochloride is 484.19272 g/mol.
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