![1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride structure](/static/products/2812/281223-59-4.webp)
1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride
TL;DR: 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride (CAS 281223-59-4) is a chemical compound with molecular formula C24H18ClF2N3O4 and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-(3,4-difluorophenyl)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-3-yl]amino]benzoate chloride
Also Known As: 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride, 1-{1-(3,4-Difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridin, 1-[1-(3,4-difluorophenyl)-4-{[4-(ethoxycarbonyl)phenyl]amino}-2,5-dioxopyrrol-3-yl]-1$l^{5}-pyridin-1-ylium chloride, ethyl 4-[[1-(3,4-difluorophenyl)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-3-yl]amino]benzoate chloride, ethyl 4-[[1-(3,4-difluorophenyl)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-3-yl]amino]benzoate;chloride
| Molecular Formula | C24H18ClF2N3O4 |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 0.2871 |
| Topological Polar Surface Area | 79.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.0954 |
| Heavy Atoms | 34 |
| Complexity | 1281.1354 |
Chemical Identifiers
| CAS Number | 281223-59-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)F)[N+]4=CC=CC=C4.[Cl-] |
Product Overview
1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride (CAS 281223-59-4), with molecular formula C24H18ClF2N3O4 and molecular weight 485.10 g/mol. IUPAC: ethyl 4-[[1-(3,4-difluorophenyl)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-3-yl]amino]benzoate chloride.
Chemical Property Profile of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride
Property Insights of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride
The XLogP value of 0.2871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride. The TPSA of 79.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride. Following Lipinski's Rule of Five, 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride 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 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride?
The CAS number of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride is 281223-59-4.
What is the molecular formula of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride?
The molecular formula of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride is C24H18ClF2N3O4.
What is the molecular weight of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride?
The molecular weight of 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride is 485.10 g/mol.
Where can I buy 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride?
You can request a quote for 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-(3,4-difluorophenyl)-4-[4-(ethoxycarbonyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.