TL;DR: RefChem:349144 (CAS 57647-54-8) is a chemical compound with molecular formula C22H30Cl4N4 and molecular weight 490.12247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethylazanium dichloride
Also Known As: Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride, 1-(Bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)indole dihydrochloride, 2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethylazanium dichloride
| Molecular Formula | C22H30Cl4N4 |
| Molecular Weight | 490.12247 g/mol |
| XLogP | -4.15 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1195 Da |
| Heavy Atoms | 30 |
| Complexity | 455.0 |
| SMILES | C[NH+](C)CCN(CC[NH+](C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | COQSXPFCJVJGDR-UHFFFAOYSA-N |
The XLogP value of -4.15 indicates that RefChem:349144 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, RefChem:349144 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349144 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 RefChem:349144 is 57647-54-8.
The molecular formula of RefChem:349144 is C22H30Cl4N4.
The molecular weight of RefChem:349144 is 490.12247 g/mol.
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