AG 1812
TL;DR: AG 1812 (CAS 114559-57-8) is a chemical compound with molecular formula C32H28Cl2F6N6O2S2 and molecular weight 776.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole dichloride
Also Known As: AG 1812, Pyridinium, 2,2'-(dithiobis(methylene))bis(1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, dichloride, 2,2'-Dithiomethylene-bis(1-(2-benzimidazolyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridinium), 2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole;dichloride, (Disulfanediylbis{methylene[1-(1H-1,3-benzimidazol-2-yl)-3-methylpyridin-2-yl-4-ylidene]})bis[(2,2,2-trifluoroethyl)oxidanium] dichloride
| Molecular Formula | C32H28Cl2F6N6O2S2 |
|---|---|
| Molecular Weight | 776.10 g/mol |
| LogP | 1.58124 |
| Topological Polar Surface Area | 83.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 776.0997 |
| Heavy Atoms | 50 |
| Complexity | 1877.4052 |
Chemical Identifiers
| CAS Number | 114559-57-8 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSCC2=[N+](C=CC(=C2C)OCC(F)(F)F)C3=NC4=CC=CC=C4N3)C5=NC6=CC=CC=C6N5)OCC(F)(F)F.[Cl-].[Cl-] |
Product Overview
AG 1812 (CAS 114559-57-8), with molecular formula C32H28Cl2F6N6O2S2 and molecular weight 776.10 g/mol. IUPAC: 2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole dichloride.
Chemical Property Profile of AG 1812
Property Insights of AG 1812
The XLogP value of 1.58124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AG 1812. The TPSA of 83.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AG 1812. Following Lipinski's Rule of Five, AG 1812 has 2 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 AG 1812?
The CAS number of AG 1812 is 114559-57-8.
What is the molecular formula of AG 1812?
The molecular formula of AG 1812 is C32H28Cl2F6N6O2S2.
What is the molecular weight of AG 1812?
The molecular weight of AG 1812 is 776.10 g/mol.
Where can I buy AG 1812?
You can request a quote for AG 1812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AG 1812?
Yes, KEHONG BIO provides custom synthesis services for AG 1812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.