RefChem:1068639
TL;DR: RefChem:1068639 (CAS 139886-29-6) is a chemical compound with molecular formula C9H15ClN2O2 and molecular weight 218.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneamino] acetate;hydrochloride
Also Known As: 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-acetyloxime, 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-methyl-, O-acetyloxime, monohydrochloride, (E)-
Technical Specifications
| Molecular Formula | C9H15ClN2O2 |
| Molecular Weight | 218.0822 g/mol |
| XLogP | 1.219 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0822 Da |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
| SMILES | CC(=O)O/N=C/C1=CCCN(C1)C.Cl |
| InChIKey | ZDYJRHNIAJADJW-AAGWESIMSA-N |
Chemical Property Profile of RefChem:1068639
Property Insights of RefChem:1068639
The XLogP value of 1.219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068639. With a topological polar surface area (TPSA) of 41.9 Ų, RefChem:1068639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068639 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1068639?
The CAS number of RefChem:1068639 is 139886-29-6.
What is the molecular formula of RefChem:1068639?
The molecular formula of RefChem:1068639 is C9H15ClN2O2.
What is the molecular weight of RefChem:1068639?
The molecular weight of RefChem:1068639 is 218.0822 g/mol.
Where can I buy RefChem:1068639?
You can request a quote for RefChem:1068639 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068639?
Yes, CoreyChem provides custom synthesis services for RefChem:1068639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.