methanolate structure](/static/products/4888/488852-97-7.webp)
(E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate
TL;DR: (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate (CAS 488852-97-7) is a chemical compound with molecular formula C21H15FN2O3S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-4-hydroxy-1-(6-methyl-2-pyridinyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate, 5-(4-fluorophenyl)-3-hydroxy-1-(6-methyl-2-pyridinyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(4-fluorophenyl)-4-hydroxy-1-(6-methylpyridin-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(4-fluorophenyl)-3-hydroxy-1-(6-methyl(2-pyridyl))-4-(2-thienylcarbonyl)-3-p yrrolin-2-one, 5-(4-fluorophenyl)-3-hydroxy-1-(6-methylpyridin-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H15FN2O3S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 4.37352 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.07874 |
| Heavy Atoms | 28 |
| Complexity | 1091.1031 |
Chemical Identifiers
| CAS Number | 488852-97-7 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F |
Product Overview
(E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate (CAS 488852-97-7), with molecular formula C21H15FN2O3S and molecular weight 394.08 g/mol. IUPAC: 2-(4-fluorophenyl)-4-hydroxy-1-(6-methyl-2-pyridinyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Property Insights of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate
The XLogP value of 4.37352 indicates that (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate. Following Lipinski's Rule of Five, (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate has 1 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 (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate?
The CAS number of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate is 488852-97-7.
What is the molecular formula of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate?
The molecular formula of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate is C21H15FN2O3S.
What is the molecular weight of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate?
The molecular weight of (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate is 394.08 g/mol.
Where can I buy (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate?
You can request a quote for (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate?
Yes, KEHONG BIO provides custom synthesis services for (E)-[2-(4-fluorophenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.