RefChem:1068625
TL;DR: RefChem:1068625 (CAS 145071-52-9) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
Also Known As: 1-Acetoxy-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-methyloxime, 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(acetyloxy)-, 3-(O-methyloxime), (E)-, (E)-1,2,5,6-Tetrahydro-1-(acetyloxy)-3-pyridinecarboxaldehyde 3-(O-methyloxime), RefChem:1068625, BRN 5811985
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 0.7972 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 245.99925 |
Chemical Identifiers
| CAS Number | 145071-52-9 |
|---|---|
| SMILES | CC(=O)N1CCC=C(C1)/C=N/OC |
Product Overview
RefChem:1068625 (CAS 145071-52-9), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 1-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
Chemical Property Profile of RefChem:1068625
Property Insights of RefChem:1068625
The XLogP value of 0.7972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068625. With a topological polar surface area (TPSA) of 41.9 Ų, RefChem:1068625 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068625 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1068625?
The CAS number of RefChem:1068625 is 145071-52-9.
What is the molecular formula of RefChem:1068625?
The molecular formula of RefChem:1068625 is C9H14N2O2.
What is the molecular weight of RefChem:1068625?
The molecular weight of RefChem:1068625 is 182.11 g/mol.
Where can I buy RefChem:1068625?
You can request a quote for RefChem:1068625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068625?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.