2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
TL;DR: 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (CAS 10158-72-2) is a chemical compound with molecular formula C6H5N2O4- and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
Also Known As: 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate, 2-(3,6-dioxo-2H-pyridazin-1-yl)acetate
| Molecular Formula | C6H5N2O4- |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | -2.7135 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.02493 |
| Heavy Atoms | 12 |
| Complexity | 402.4994 |
Chemical Identifiers
| CAS Number | 10158-72-2 |
|---|---|
| SMILES | C1=CC(=O)N(NC1=O)CC(=O)[O-] |
Product Overview
2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (CAS 10158-72-2), with molecular formula C6H5N2O4- and molecular weight 169.02 g/mol. IUPAC: 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate.
Chemical Property Profile of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
Property Insights of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
The XLogP value of -2.7135 indicates that 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate. Following Lipinski's Rule of Five, 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate has 1 hydrogen bond donor(s) and 4 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-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The CAS number of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is 10158-72-2.
What is the molecular formula of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The molecular formula of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is C6H5N2O4-.
What is the molecular weight of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The molecular weight of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is 169.02 g/mol.
Where can I buy 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
You can request a quote for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.