Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-
TL;DR: Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- (CAS 124486-06-2) is a chemical compound with molecular formula C19H20ClF3N4O3S2 and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride
Also Known As: Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-, 2-amino-3-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride, RefChem:377099
| Molecular Formula | C19H20ClF3N4O3S2 |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 0.47272 |
| Topological Polar Surface Area | 105.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.06174 |
| Heavy Atoms | 32 |
| Complexity | 1111.3468 |
Chemical Identifiers
| CAS Number | 124486-06-2 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSCC(C(=O)O)N)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-] |
Product Overview
Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- (CAS 124486-06-2), with molecular formula C19H20ClF3N4O3S2 and molecular weight 508.06 g/mol. IUPAC: 2-amino-3-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride.
Chemical Property Profile of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-
Property Insights of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-
The XLogP value of 0.47272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-. The TPSA of 105.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-. Following Lipinski's Rule of Five, Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- has 3 hydrogen bond donor(s) and 6 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-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-?
The CAS number of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- is 124486-06-2.
What is the molecular formula of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-?
The molecular formula of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- is C19H20ClF3N4O3S2.
What is the molecular weight of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-?
The molecular weight of Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- is 508.06 g/mol.
Where can I buy Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-?
You can request a quote for Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- 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-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.