TL;DR: Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis- (CAS 124959-48-4) is a chemical compound with molecular formula C18H21N3O3S2 and molecular weight 391.10245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4,6-dithiophen-2-ylpyrimidin-2-yl)oxyethyl-(2-hydroxyethyl)amino]ethanol
Also Known As: 2-(2-(Di(hydroxyethyl)amino)ethoxy)-4,6-dithienylpyrimidine, Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis-, Triethanolamine, mono(4,6-bis(2-thienyl)pyrimidin-2-yl)ether, Ethanol,2,2'-[[2-[(4,6-di-2-thienyl-2-pyrimidinyl)oxy]ethyl]imino]bis-, Triethanolamine, mono[4,6-bis(2-thienyl)pyrimidin-2-yl]ether
| Molecular Formula | C18H21N3O3S2 |
| Molecular Weight | 391.10245 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.10245 Da |
| Heavy Atoms | 26 |
| Complexity | 378.0 |
| SMILES | C1=CSC(=C1)C2=CC(=NC(=N2)OCCN(CCO)CCO)C3=CC=CS3 |
| InChIKey | KNOSZXOTJYHVKE-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis-. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis-. Following Lipinski's Rule of Five, Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis- is 124959-48-4.
The molecular formula of Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis- is C18H21N3O3S2.
The molecular weight of Ethanol, 2,2'-((2-((4,6-di-2-thienyl-2-pyrimidinyl)oxy)ethyl)imino)bis- is 391.10245 g/mol.
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