TL;DR: RefChem:282075 (CAS 145071-62-1) is a chemical compound with molecular formula C14H16ClN3O3 and molecular weight 309.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(4-chlorophenyl)carbamate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, 3-(O-methyloxime), (E)-, 1-[(4-Chlorophenyl)carbamoyl]oxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-methyl oxime, 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridin-1-yl N-(4-chlorophenyl)carbamate, (E)-3-O-Methyloxime)-1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-3-pyridinecarboxaldehyde, BRN 5826290
| Molecular Formula | C14H16ClN3O3 |
| Molecular Weight | 309.088 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.088 Da |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
| SMILES | CO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | XZQZAGAUOUPLDW-CXUHLZMHSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:282075. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:282075. Following Lipinski's Rule of Five, RefChem:282075 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:282075 is 145071-62-1.
The molecular formula of RefChem:282075 is C14H16ClN3O3.
The molecular weight of RefChem:282075 is 309.088 g/mol.
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