TL;DR: RefChem:1068635 (CAS 139886-23-0) is a chemical compound with molecular formula C10H19ClN2O and molecular weight 218.11859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-propan-2-yloxymethanimine;hydrochloride
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-methyl-, O-(1-methylethyl)oxime, monohydrochloride, (E)-, 1-(1-methyl-5,6-dihydro-2H-pyridin-3-yl)-N-propan-2-yloxy-methanimine Hydrochloride
| Molecular Formula | C10H19ClN2O |
| Molecular Weight | 218.11859 g/mol |
| XLogP | 2.0809 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.11859 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | CC(C)O/N=C/C1=CCCN(C1)C.Cl |
| InChIKey | ULDJOARKLZQVOR-RVDQCCQOSA-N |
The XLogP value of 2.0809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068635. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:1068635 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068635 has 1 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:1068635 is 139886-23-0.
The molecular formula of RefChem:1068635 is C10H19ClN2O.
The molecular weight of RefChem:1068635 is 218.11859 g/mol.
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