![4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate structure](/static/products/5983/5983-31-3.webp)
4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate
TL;DR: 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate (CAS 5983-31-3) is a chemical compound with molecular formula C28H23ClN4O3 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-1-(4-chlorophenyl)-3-methylpyrazol-5-olate
Also Known As: 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate, 1-Benzyl-4-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate, 1-benzyl-4-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate, 4-[1-benzyl-4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-olate
| Molecular Formula | C28H23ClN4O3 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 3.74936 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.14587 |
| Heavy Atoms | 36 |
| Complexity | 1519.0205 |
Chemical Identifiers
| CAS Number | 5983-31-3 |
|---|---|
| SMILES | CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(N(N=C4C)C5=CC=C(C=C5)Cl)[O-])C |
Product Overview
4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate (CAS 5983-31-3), with molecular formula C28H23ClN4O3 and molecular weight 498.15 g/mol. IUPAC: 4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-1-(4-chlorophenyl)-3-methylpyrazol-5-olate.
Chemical Property Profile of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate
Property Insights of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate
The XLogP value of 3.74936 indicates that 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-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 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate. Following Lipinski's Rule of Five, 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-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 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate?
The CAS number of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate is 5983-31-3.
What is the molecular formula of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate?
The molecular formula of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate is C28H23ClN4O3.
What is the molecular weight of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate?
The molecular weight of 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate is 498.15 g/mol.
Where can I buy 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate?
You can request a quote for 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-Benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-2-(4-chlorophenyl)-5-methylpyrazol-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.