Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate
TL;DR: Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate (CAS 129109-18-8) is a chemical compound with molecular formula C13H8ClF3N2O3 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
Also Known As: Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate, 3-FORMYLPHENOXYACETICACID, 5474AA, methyl 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate, 2F-033
| Molecular Formula | C13H8ClF3N2O3 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 2.6913 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.01755 |
| Heavy Atoms | 22 |
| Complexity | 786.83026 |
Chemical Identifiers
| CAS Number | 129109-18-8 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C=C1Cl)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate (CAS 129109-18-8), with molecular formula C13H8ClF3N2O3 and molecular weight 332.02 g/mol. IUPAC: methyl 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
Chemical Property Profile of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate
Property Insights of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate
The XLogP value of 2.6913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-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 Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate?
The CAS number of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate is 129109-18-8.
What is the molecular formula of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate?
The molecular formula of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate is C13H8ClF3N2O3.
What is the molecular weight of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate?
The molecular weight of Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate is 332.02 g/mol.
Where can I buy Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate?
You can request a quote for Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.