1-Methyl-6-oxo-pyridazine-3-carboxylate
TL;DR: 1-Methyl-6-oxo-pyridazine-3-carboxylate (CAS 100047-66-3) is a chemical compound with molecular formula C6H5N2O3- and molecular weight 153.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-oxopyridazine-3-carboxylate
Also Known As: 1-methyl-6-oxo-pyridazine-3-carboxylate, 1-methyl-6-oxopyridazine-3-carboxylate, 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate, 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI), 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
| Molecular Formula | C6H5N2O3- |
|---|---|
| Molecular Weight | 153.03 g/mol |
| LogP | -1.8562 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.03001 |
| Heavy Atoms | 11 |
| Complexity | 341.92578 |
Chemical Identifiers
| CAS Number | 100047-66-3 |
|---|---|
| SMILES | CN1C(=O)C=CC(=N1)C(=O)[O-] |
Product Overview
1-Methyl-6-oxo-pyridazine-3-carboxylate (CAS 100047-66-3), with molecular formula C6H5N2O3- and molecular weight 153.03 g/mol. IUPAC: 1-methyl-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of 1-Methyl-6-oxo-pyridazine-3-carboxylate
Property Insights of 1-Methyl-6-oxo-pyridazine-3-carboxylate
The XLogP value of -1.8562 indicates that 1-Methyl-6-oxo-pyridazine-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-6-oxo-pyridazine-3-carboxylate. Following Lipinski's Rule of Five, 1-Methyl-6-oxo-pyridazine-3-carboxylate has 0 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 1-Methyl-6-oxo-pyridazine-3-carboxylate?
The CAS number of 1-Methyl-6-oxo-pyridazine-3-carboxylate is 100047-66-3.
What is the molecular formula of 1-Methyl-6-oxo-pyridazine-3-carboxylate?
The molecular formula of 1-Methyl-6-oxo-pyridazine-3-carboxylate is C6H5N2O3-.
What is the molecular weight of 1-Methyl-6-oxo-pyridazine-3-carboxylate?
The molecular weight of 1-Methyl-6-oxo-pyridazine-3-carboxylate is 153.03 g/mol.
Where can I buy 1-Methyl-6-oxo-pyridazine-3-carboxylate?
You can request a quote for 1-Methyl-6-oxo-pyridazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-oxo-pyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-oxo-pyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.