TL;DR: 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride (CAS 133041-48-2) is a chemical compound with molecular formula C25H27Cl2N3O3 and molecular weight 487.14294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[N-(2-hydroxyethyl)-4-[4-(quinolin-4-ylamino)phenoxy]anilino]ethanol;dihydrochloride
Also Known As: 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride, 2-[N-(2-hydroxyethyl)-4-[4-(quinolin-4-ylamino)phenoxy]anilino]ethanol dihydrochloride, 2,2'-[(4-{4-[(Quinolin-4-yl)amino]phenoxy}phenyl)azanediyl]di(ethan-1-ol)--hydrogen chloride (1/2)
| Molecular Formula | C25H27Cl2N3O3 |
| Molecular Weight | 487.14294 g/mol |
| XLogP | 5.4053 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.14294 Da |
| Heavy Atoms | 33 |
| Complexity | 500.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)OC4=CC=C(C=C4)N(CCO)CCO.Cl.Cl |
| InChIKey | MZCROBGYNBGECO-UHFFFAOYSA-N |
The XLogP value of 5.4053 indicates that 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride. Following Lipinski's Rule of Five, 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride is 133041-48-2.
The molecular formula of 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride is C25H27Cl2N3O3.
The molecular weight of 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride is 487.14294 g/mol.
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