1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate
TL;DR: 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate (CAS 5983-04-0) is a chemical compound with molecular formula C26H19FN4O3 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-1-methyl-3-phenylpyrazol-5-olate
Also Known As: 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate, 1-(4-Fluorophenyl)-4-(1-methyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate
| Molecular Formula | C26H19FN4O3 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 2.83742 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.1441 |
| Heavy Atoms | 34 |
| Complexity | 1473.934 |
Chemical Identifiers
| CAS Number | 5983-04-0 |
|---|---|
| SMILES | CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(N(N=C4C5=CC=CC=C5)C)[O-] |
Product Overview
1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate (CAS 5983-04-0), with molecular formula C26H19FN4O3 and molecular weight 454.14 g/mol. IUPAC: 4-[1-(4-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-1-methyl-3-phenylpyrazol-5-olate.
Chemical Property Profile of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate
Property Insights of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate
The XLogP value of 2.83742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate 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 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate?
The CAS number of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate is 5983-04-0.
What is the molecular formula of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate?
The molecular formula of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate is C26H19FN4O3.
What is the molecular weight of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate?
The molecular weight of 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate is 454.14 g/mol.
Where can I buy 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate?
You can request a quote for 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.