Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
TL;DR: Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-90-2) is a chemical compound with molecular formula C13H10ClFN2O3 and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
Also Known As: Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate, Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate, 8G-391S, ethyl 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate, ethylchlorofluorophenyloxodihydropyridazinecarboxylate
| Molecular Formula | C13H10ClFN2O3 |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 2.2017 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0364 |
| Heavy Atoms | 20 |
| Complexity | 697.75275 |
Chemical Identifiers
| CAS Number | 339031-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C=C1Cl)C2=CC=C(C=C2)F |
Product Overview
Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-90-2), with molecular formula C13H10ClFN2O3 and molecular weight 296.04 g/mol. IUPAC: ethyl 4-chloro-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
Property Insights of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
The XLogP value of 2.2017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate 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 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The CAS number of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 339031-90-2.
What is the molecular formula of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular formula of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is C13H10ClFN2O3.
What is the molecular weight of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular weight of Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 296.04 g/mol.
Where can I buy Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
You can request a quote for Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.