![4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate structure](/static/products/5983/5983-39-1.webp)
4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate
TL;DR: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate (CAS 5983-39-1) is a chemical compound with molecular formula C29H25FN4O3 and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]-1-(4-fluorophenyl)pyrazol-5-olate
Also Known As: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate, 4-[3-Ethyl-1-(4-fluorophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate
| Molecular Formula | C29H25FN4O3 |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 3.74742 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.19107 |
| Heavy Atoms | 37 |
| Complexity | 1553.2751 |
Chemical Identifiers
| CAS Number | 5983-39-1 |
|---|---|
| SMILES | CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C)C4=C(N(N=C4CC)C5=CC=C(C=C5)F)[O-] |
Product Overview
4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate (CAS 5983-39-1), with molecular formula C29H25FN4O3 and molecular weight 496.19 g/mol. IUPAC: 3-ethyl-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]-1-(4-fluorophenyl)pyrazol-5-olate.
Chemical Property Profile of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate
Property Insights of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate
The XLogP value of 3.74742 indicates that 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate. Following Lipinski's Rule of Five, 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-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 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate?
The CAS number of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate is 5983-39-1.
What is the molecular formula of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate?
The molecular formula of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate is C29H25FN4O3.
What is the molecular weight of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate?
The molecular weight of 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate is 496.19 g/mol.
Where can I buy 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate?
You can request a quote for 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-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 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxopyrrol-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.