RefChem:1068626
TL;DR: RefChem:1068626 (CAS 145071-54-1) 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.
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] benzoate
Also Known As: (E)-1,2,5,6-Tetrahydro-1-(benzoyloxy)-3-pyridinecarboxaldehyde 3-(O-methyloxime), 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(benzoyloxy)-, 3-(O-methyloxime), (E)-, BRN 5820842
Technical Specifications
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.1161 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | CO/N=C/C1=CCCN(C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | SXXUSDSNXCLMGB-XNTDXEJSSA-N |
Chemical Property Profile of RefChem:1068626
Property Insights of RefChem:1068626
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068626. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:1068626 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068626 has 0 hydrogen bond donor(s) and 5 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:1068626?
The CAS number of RefChem:1068626 is 145071-54-1.
What is the molecular formula of RefChem:1068626?
The molecular formula of RefChem:1068626 is C14H16N2O3.
What is the molecular weight of RefChem:1068626?
The molecular weight of RefChem:1068626 is 260.1161 g/mol.
Where can I buy RefChem:1068626?
You can request a quote for RefChem:1068626 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068626?
Yes, CoreyChem provides custom synthesis services for RefChem:1068626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.