![methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate structure](/static/products/866/866049-41-4.png)
methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate
TL;DR: methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate (CAS 866049-41-4) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(2-methylphenyl)carbamoyl]-4-oxopyridazin-1-yl]benzoate
Also Known As: 6P-536S, methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate, methyl 4-{3-[(2-methylphenyl)carbamoyl]-4-oxo-1,4-dihydropyridazin-1-yl}benzoate, methyl 4-[3-[(2-methylphenyl)carbamoyl]-4-oxopyridazin-1-yl]benzoate, methyl 4-[3-(o-tolylcarbamoyl)-4-oxo-pyridazin-1-yl]benzoate
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 2.57982 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 1055.322 |
Chemical Identifiers
| CAS Number | 866049-41-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate (CAS 866049-41-4), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: methyl 4-[3-[(2-methylphenyl)carbamoyl]-4-oxopyridazin-1-yl]benzoate.
Chemical Property Profile of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate
Property Insights of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate
The XLogP value of 2.57982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate has 1 hydrogen bond donor(s) and 5 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 methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate?
The CAS number of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate is 866049-41-4.
What is the molecular formula of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate?
The molecular formula of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate is C20H17N3O4.
What is the molecular weight of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate?
The molecular weight of methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate is 363.12 g/mol.
Where can I buy methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate?
You can request a quote for methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[4-oxo-3-(2-toluidinocarbonyl)-1(4H)-pyridazinyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.