![2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate structure](/static/products/5983/5983-05-1.webp)
2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate
TL;DR: 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate (CAS 5983-05-1) is a chemical compound with molecular formula C27H21ClN4O3 and molecular weight 484.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-5-olate
Also Known As: 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate, 4-[1-(3-Chlorophenyl)-3-ethyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrol-2-olate, 4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-phenylpyrrol-2-olate
| Molecular Formula | C27H21ClN4O3 |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 3.69932 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.13022 |
| Heavy Atoms | 35 |
| Complexity | 1508.1125 |
Chemical Identifiers
| CAS Number | 5983-05-1 |
|---|---|
| SMILES | CCC1=NN(C(=C1C2=C(C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC(=C4)C)[O-])C5=CC(=CC=C5)Cl |
Product Overview
2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate (CAS 5983-05-1), with molecular formula C27H21ClN4O3 and molecular weight 484.13 g/mol. IUPAC: 1-(3-chlorophenyl)-3-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-5-olate.
Chemical Property Profile of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate
Property Insights of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate
The XLogP value of 3.69932 indicates that 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-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 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-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 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate?
The CAS number of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate is 5983-05-1.
What is the molecular formula of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate?
The molecular formula of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate is C27H21ClN4O3.
What is the molecular weight of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate?
The molecular weight of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate is 484.13 g/mol.
Where can I buy 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate?
You can request a quote for 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.