TL;DR: 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride (CAS 142934-88-1) is a chemical compound with molecular formula C12H20Cl2FN3O2 and molecular weight 327.09167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-chloro-5-fluoro-6-(methylamino)-3-pyridinyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
Also Known As: 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride, 1-(2-Chloro-5-Fluoro-6-Methylaminopyridin-3-yl-2-(2-Dimethylaminoethoxy)Ethanol Hydrochloride, 1-[2-chloro-5-fluoro-6-(methylamino)pyridin-3-yl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride, 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5 -fluoro-6-(methylamino)-, mon, 1-(2-chloro-5-fluoro-6-methylamino-pyridin-3-yl)-2-(2-dimethylaminoethoxy)ethanol Hydrochloride
| Molecular Formula | C12H20Cl2FN3O2 |
| Molecular Weight | 327.09167 g/mol |
| XLogP | 1.9492 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.09167 Da |
| Heavy Atoms | 20 |
| Complexity | 261.0 |
| SMILES | CNC1=C(C=C(C(=N1)Cl)C(COCCN(C)C)O)F.Cl |
| InChIKey | GQXWIFBBWLCPBX-UHFFFAOYSA-N |
The XLogP value of 1.9492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride. With a topological polar surface area (TPSA) of 57.6 Ų, 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride is 142934-88-1.
The molecular formula of 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride is C12H20Cl2FN3O2.
The molecular weight of 3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride is 327.09167 g/mol.
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