TL;DR: RefChem:1068605 (CAS 145071-58-5) is a chemical compound with molecular formula C11H19N3O3 and molecular weight 241.14264 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-propan-2-ylcarbamate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((1-methylethyl)amino)carbonyl)oxy)-, 3-(O-methyloxime), (E)-, 1-(Isopropylcarbamoyl)oxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-methyl oxime, 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridin-1-yl N-(propan-2-yl)carbamate, BRN 5816353
| Molecular Formula | C11H19N3O3 |
| Molecular Weight | 241.14264 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.14264 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | CC(C)NC(=O)ON1CCC=C(C1)/C=N/OC |
| InChIKey | PKGMTORXRFZZPH-KPKJPENVSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068605. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068605. Following Lipinski's Rule of Five, RefChem:1068605 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:1068605 is 145071-58-5.
The molecular formula of RefChem:1068605 is C11H19N3O3.
The molecular weight of RefChem:1068605 is 241.14264 g/mol.
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