Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
TL;DR: Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride (CAS 124474-53-9) is a chemical compound with molecular formula C18H20ClF3N4OS2 and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride
Also Known As: Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, Pyridinium,2-[[(2-aminoethyl)dithio]methyl]-4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-,chloride (1:1), [2-{[(2-Aminoethyl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride, [2-{[(2-Aminoethyl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride, 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride
| Molecular Formula | C18H20ClF3N4OS2 |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 1.01952 |
| Topological Polar Surface Area | 67.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.07193 |
| Heavy Atoms | 29 |
| Complexity | 981.63 |
Chemical Identifiers
| CAS Number | 124474-53-9 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSCCN)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-] |
Product Overview
Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride (CAS 124474-53-9), with molecular formula C18H20ClF3N4OS2 and molecular weight 464.07 g/mol. IUPAC: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride.
Chemical Property Profile of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
Property Insights of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
The XLogP value of 1.01952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride. The TPSA of 67.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride. Following Lipinski's Rule of Five, Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride has 2 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 Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The CAS number of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is 124474-53-9.
What is the molecular formula of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The molecular formula of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is C18H20ClF3N4OS2.
What is the molecular weight of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
The molecular weight of Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride is 464.07 g/mol.
Where can I buy Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
You can request a quote for Pyridinium, 2-(((2-aminoethyl)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-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 2-(((2-aminoethyl)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.