1-(1-Oxido-3-pyridinyl)ethanone
TL;DR: 1-(1-Oxido-3-pyridinyl)ethanone (CAS 14188-94-4) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-oxidopyridin-1-ium-3-yl)ethanone
Also Known As: 3-Acetylpyridine N-oxide, 3-Acetylpyridine 1-oxide, 3-Acetyl pyridine N-oxide, 3-acetylpyridine-N-oxide, Imatinib Impurity 19
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 14188-94-4 |
|---|---|
| SMILES | CC(=O)C1=C[N+](=CC=C1)[O-] |
| InChIKey | AZFMFGIMDGBJRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Oxido-3-pyridinyl)ethanone (CAS 14188-94-4), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 1-(1-oxidopyridin-1-ium-3-yl)ethanone.
Chemical Property Profile of 1-(1-Oxido-3-pyridinyl)ethanone
Property Insights of 1-(1-Oxido-3-pyridinyl)ethanone
The XLogP value of -0.6 indicates that 1-(1-Oxido-3-pyridinyl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.5 Ų, 1-(1-Oxido-3-pyridinyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Oxido-3-pyridinyl)ethanone has 0 hydrogen bond donor(s) and 2 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 1-(1-Oxido-3-pyridinyl)ethanone?
The CAS number of 1-(1-Oxido-3-pyridinyl)ethanone is 14188-94-4.
What is the molecular formula of 1-(1-Oxido-3-pyridinyl)ethanone?
The molecular formula of 1-(1-Oxido-3-pyridinyl)ethanone is C7H7NO2.
What is the molecular weight of 1-(1-Oxido-3-pyridinyl)ethanone?
The molecular weight of 1-(1-Oxido-3-pyridinyl)ethanone is 137.05 g/mol.
Where can I buy 1-(1-Oxido-3-pyridinyl)ethanone?
You can request a quote for 1-(1-Oxido-3-pyridinyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Oxido-3-pyridinyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Oxido-3-pyridinyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.