TL;DR: 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride (CAS 133041-50-6) is a chemical compound with molecular formula C24H30Cl2N2O2S and molecular weight 480.1405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-[[(1Z)-1-cyclohexa-2,4-dien-1-ylideneethyl]amino]phenyl]sulfanyl-N-(2-hydroxyethyl)anilino]ethanol;dihydrochloride
Also Known As: 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride, 2-[4-[4-[[(1Z)-1-cyclohexa-2,4-dien-1-ylideneethyl]amino]phenyl]sulfanyl-N-(2-hydroxyethyl)anilino]ethanol dihydrochloride
| Molecular Formula | C24H30Cl2N2O2S |
| Molecular Weight | 480.1405 g/mol |
| XLogP | 5.6744 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.1405 Da |
| Heavy Atoms | 31 |
| Complexity | 567.0 |
| SMILES | C/C(=C/1\CC=CC=C1)/NC2=CC=C(C=C2)SC3=CC=C(C=C3)N(CCO)CCO.Cl.Cl |
| InChIKey | MXABUKXVQUNUQJ-LLIZZRELSA-N |
The XLogP value of 5.6744 indicates that 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride. Following Lipinski's Rule of Five, 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride is 133041-50-6.
The molecular formula of 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride is C24H30Cl2N2O2S.
The molecular weight of 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride is 480.1405 g/mol.
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