Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate
TL;DR: Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate (CAS 58112-52-0) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate
Also Known As: ETHYL (3-(4-METHYLPHENYL)-6-OXO-1(6H)-PYRIDAZINYL)ACETATE, ethyl 2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]acetate, Ethyl 2-(6-oxo-3-p-tolylpyridazin-1(6H)-yl)acetate, Ethyl 2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetate, Ethyl2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetate
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.78182 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 659.564 |
Chemical Identifiers
| CAS Number | 58112-52-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C |
Product Overview
Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate (CAS 58112-52-0), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate.
Chemical Property Profile of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate
Property Insights of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate
The XLogP value of 1.78182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate. Following Lipinski's Rule of Five, Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate 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 Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate?
The CAS number of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate is 58112-52-0.
What is the molecular formula of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate?
The molecular formula of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate is C15H16N2O3.
What is the molecular weight of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate?
The molecular weight of Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate is 272.12 g/mol.
Where can I buy Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate?
You can request a quote for Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.