1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid
TL;DR: 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid (CAS 478063-68-2) is a chemical compound with molecular formula C12H7F3N2O3 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
Also Known As: 4-Oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxylic acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic Acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxylic acid, 1,4-Dihydro-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid, 4-Oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxylicacid
| Molecular Formula | C12H7F3N2O3 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 1.9495 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.04086 |
| Heavy Atoms | 20 |
| Complexity | 722.37286 |
Chemical Identifiers
| CAS Number | 478063-68-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC(=O)C(=N2)C(=O)O)C(F)(F)F |
Product Overview
1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid (CAS 478063-68-2), with molecular formula C12H7F3N2O3 and molecular weight 284.04 g/mol. IUPAC: 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid.
Chemical Property Profile of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid
Property Insights of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid
The XLogP value of 1.9495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid. Following Lipinski's Rule of Five, 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid has 1 hydrogen bond donor(s) and 3 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 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid?
The CAS number of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid is 478063-68-2.
What is the molecular formula of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid?
The molecular formula of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid is C12H7F3N2O3.
What is the molecular weight of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid?
The molecular weight of 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid is 284.04 g/mol.
Where can I buy 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid?
You can request a quote for 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-4-oxo-1-(3-(trifluoromethyl)phenyl)-3-pyridazinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.