Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
TL;DR: Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride (CAS 124474-44-8) is a chemical compound with molecular formula C24H27ClF3N3O5S2 and molecular weight 593.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride
Also Known As: Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, Pyridinium,2-[[[3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl]dithio]methyl]-4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-,chloride (1:1), [2-{[(1,4-Diethoxy-1,4-dioxobutan-2-yl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride, [2-{[(1,4-Diethoxy-1,4-dioxobutan-2-yl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride, diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride
| Molecular Formula | C24H27ClF3N3O5S2 |
|---|---|
| Molecular Weight | 593.10 g/mol |
| LogP | 1.94572 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 593.1033 |
| Heavy Atoms | 38 |
| Complexity | 1273.0623 |
Chemical Identifiers
| CAS Number | 124474-44-8 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Cl-] |
Product Overview
Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride (CAS 124474-44-8), with molecular formula C24H27ClF3N3O5S2 and molecular weight 593.10 g/mol. IUPAC: diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride.
Chemical Property Profile of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
Property Insights of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
The XLogP value of 1.94572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride. Following Lipinski's Rule of Five, Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The CAS number of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is 124474-44-8.
What is the molecular formula of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The molecular formula of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is C24H27ClF3N3O5S2.
What is the molecular weight of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The molecular weight of Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is 593.10 g/mol.
Where can I buy Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
You can request a quote for Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.