![1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride structure](/static/products/2812/281223-62-9.webp)
1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride
TL;DR: 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride (CAS 281223-62-9) is a chemical compound with molecular formula C23H18ClF2N3O3 and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-difluorophenyl)-3-(4-methoxyanilino)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione chloride
Also Known As: 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride, 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridin, 1-(3,4-difluorophenyl)-3-(4-methoxyanilino)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione chloride, 1-(3,4-difluorophenyl)-3-(4-methoxyanilino)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione;chloride, 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridiniumchloride
| Molecular Formula | C23H18ClF2N3O3 |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 0.42742 |
| Topological Polar Surface Area | 62.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.10046 |
| Heavy Atoms | 32 |
| Complexity | 1212.1613 |
Chemical Identifiers
| CAS Number | 281223-62-9 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)F)NC4=CC=C(C=C4)OC.[Cl-] |
Product Overview
1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride (CAS 281223-62-9), with molecular formula C23H18ClF2N3O3 and molecular weight 457.10 g/mol. IUPAC: 1-(3,4-difluorophenyl)-3-(4-methoxyanilino)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione chloride.
Chemical Property Profile of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride
Property Insights of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride
The XLogP value of 0.42742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride. The TPSA of 62.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride. Following Lipinski's Rule of Five, 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride has 1 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 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride?
The CAS number of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride is 281223-62-9.
What is the molecular formula of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride?
The molecular formula of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride is C23H18ClF2N3O3.
What is the molecular weight of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride?
The molecular weight of 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride is 457.10 g/mol.
Where can I buy 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride?
You can request a quote for 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium 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-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(3,4-difluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-methylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.