1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one
TL;DR: 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one (CAS 2096-46-0) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3,6-dimethyl-5-nitropyridazin-4-one
Also Known As: 3,6-Dimethyl-5-nitro-4-pyridazinol 1-oxide, 4-Pyridazinol, 3,6-dimethyl-5-nitro-, 1-oxide, 1-hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one, 1-hydroxy-3,6-dimethyl-5-nitropyridazin-4-one, RefChem:1055576
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 2096-46-0 |
|---|---|
| SMILES | CC1=C(C(=O)C(=NN1O)C)[N+](=O)[O-] |
| InChIKey | SAXLWTGEIJIPAS-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one (CAS 2096-46-0), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: 1-hydroxy-3,6-dimethyl-5-nitropyridazin-4-one.
Chemical Property Profile of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one
Property Insights of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one
The XLogP value of -0.1 indicates that 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one. Following Lipinski's Rule of Five, 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one has 1 hydrogen bond donor(s) and 6 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-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one?
The CAS number of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one is 2096-46-0.
What is the molecular formula of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one?
The molecular formula of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one is C6H7N3O4.
What is the molecular weight of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one?
The molecular weight of 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one is 185.04 g/mol.
Where can I buy 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one?
You can request a quote for 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3,6-dimethyl-5-nitropyridazin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.