![4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid structure](/static/products/1668/1668604-55-4.webp)
4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
TL;DR: 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid (CAS 1668604-55-4) is a chemical compound with molecular formula C23H13F3N2O6 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(Z)-[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, (Z)-4-(5-((1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-[4-[[5-(4-carboxyphenyl)-2-furyl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic Acid, 4-[5-[(Z)-[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H13F3N2O6 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 4.6915 |
| Topological Polar Surface Area | 120.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.07257 |
| Heavy Atoms | 34 |
| Complexity | 1352.5924 |
Chemical Identifiers
| CAS Number | 1668604-55-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F)C(=O)O |
Product Overview
4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid (CAS 1668604-55-4), with molecular formula C23H13F3N2O6 and molecular weight 470.07 g/mol. IUPAC: 4-[5-[(Z)-[1-(4-carboxyphenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Property Insights of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
The XLogP value of 4.6915 indicates that 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid has 2 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 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The CAS number of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is 1668604-55-4.
What is the molecular formula of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The molecular formula of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is C23H13F3N2O6.
What is the molecular weight of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The molecular weight of 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is 470.07 g/mol.
Where can I buy 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
You can request a quote for 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.