TL;DR: RefChem:1051422 (CAS 145071-42-7) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: Phenyl 3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate, 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, phenyl ester, Methyl ether of 1-phenyloxycarbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime, Phenyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate, phenyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.1161 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | CO/N=C/C1=CCCN(C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | GGIGXOXHMJUBPY-XNTDXEJSSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1051422. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:1051422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051422 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1051422 is 145071-42-7.
The molecular formula of RefChem:1051422 is C14H16N2O3.
The molecular weight of RefChem:1051422 is 260.1161 g/mol.
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