Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
TL;DR: Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate (CAS 477859-63-5) is a chemical compound with molecular formula C14H10ClF3N2O3 and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
Also Known As: 12M-552S, ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate, ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxylate, ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridazine-3-carboxylate, ethyl1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C14H10ClF3N2O3 |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 3.0814 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0332 |
| Heavy Atoms | 23 |
| Complexity | 802.585 |
Chemical Identifiers
| CAS Number | 477859-63-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C=C1C(F)(F)F)C2=CC(=CC=C2)Cl |
Product Overview
Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate (CAS 477859-63-5), with molecular formula C14H10ClF3N2O3 and molecular weight 346.03 g/mol. IUPAC: ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
Property Insights of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
The XLogP value of 3.0814 indicates that Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)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 Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The CAS number of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is 477859-63-5.
What is the molecular formula of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The molecular formula of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is C14H10ClF3N2O3.
What is the molecular weight of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The molecular weight of Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is 346.03 g/mol.
Where can I buy Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
You can request a quote for Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)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 Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.