2-oxido-1H-pyridazin-2-ium-6-one
TL;DR: 2-oxido-1H-pyridazin-2-ium-6-one (CAS 18259-51-3) is a chemical compound with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxido-1H-pyridazin-2-ium-6-one
Also Known As: 3-Pyridazinol 1-oxide, 3-Hydroxypyridazine 1-oxide, 1-oxy-2H-pyridazin-3-one, 3-hydroxypyridazin-1-ium-1-olate, 2-oxido-1H-pyridazin-2-ium-6-one
| Molecular Formula | C4H4N2O2 |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.027275 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 18259-51-3 |
|---|---|
| SMILES | C1=CC(=O)N[N+](=C1)[O-] |
| InChIKey | XQPXQEFSNSHHRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-oxido-1H-pyridazin-2-ium-6-one (CAS 18259-51-3), with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol. IUPAC: 2-oxido-1H-pyridazin-2-ium-6-one.
Chemical Property Profile of 2-oxido-1H-pyridazin-2-ium-6-one
Property Insights of 2-oxido-1H-pyridazin-2-ium-6-one
The XLogP value of -1.9 indicates that 2-oxido-1H-pyridazin-2-ium-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.9 Ų, 2-oxido-1H-pyridazin-2-ium-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxido-1H-pyridazin-2-ium-6-one has 1 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 2-oxido-1H-pyridazin-2-ium-6-one?
The CAS number of 2-oxido-1H-pyridazin-2-ium-6-one is 18259-51-3.
What is the molecular formula of 2-oxido-1H-pyridazin-2-ium-6-one?
The molecular formula of 2-oxido-1H-pyridazin-2-ium-6-one is C4H4N2O2.
What is the molecular weight of 2-oxido-1H-pyridazin-2-ium-6-one?
The molecular weight of 2-oxido-1H-pyridazin-2-ium-6-one is 112.03 g/mol.
Where can I buy 2-oxido-1H-pyridazin-2-ium-6-one?
You can request a quote for 2-oxido-1H-pyridazin-2-ium-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxido-1H-pyridazin-2-ium-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-oxido-1H-pyridazin-2-ium-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.