1,1'-Carbonylbis(3-methylimidazolium) triflate
TL;DR: 1,1'-Carbonylbis(3-methylimidazolium) triflate (CAS 120418-31-7) is a chemical compound with molecular formula C11H12F6N4O7S2 and molecular weight 490.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylimidazol-3-ium-1-yl)methanone;bis(trifluoromethanesulfonate)
Also Known As: CBMIT, 1,1'-CARBONYLBIS(3-METHYLIMIDAZOLIUM) TRIFLATE, 1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) trifluoromethanesulfonate, 1,1,1-Trifluoromethanesulfonate;, 1,1'-Carbonylbis[3-methyl-1H-imidazolium
| Molecular Formula | C11H12F6N4O7S2 |
|---|---|
| Molecular Weight | 490.01 g/mol |
| LogP | -0.4422 |
| Topological Polar Surface Area | 149.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 490.00516 |
| Heavy Atoms | 30 |
| Complexity | 985.9388 |
Chemical Identifiers
| CAS Number | 120418-31-7 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C(=O)N2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
1,1'-Carbonylbis(3-methylimidazolium) triflate (CAS 120418-31-7), with molecular formula C11H12F6N4O7S2 and molecular weight 490.01 g/mol. IUPAC: bis(3-methylimidazol-3-ium-1-yl)methanone;bis(trifluoromethanesulfonate).
Chemical Property Profile of 1,1'-Carbonylbis(3-methylimidazolium) triflate
Property Insights of 1,1'-Carbonylbis(3-methylimidazolium) triflate
The XLogP value of -0.4422 indicates that 1,1'-Carbonylbis(3-methylimidazolium) triflate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.09 Ų indicates high polarity, suggesting 1,1'-Carbonylbis(3-methylimidazolium) triflate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Carbonylbis(3-methylimidazolium) triflate has 0 hydrogen bond donor(s) and 7 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'-Carbonylbis(3-methylimidazolium) triflate?
The CAS number of 1,1'-Carbonylbis(3-methylimidazolium) triflate is 120418-31-7.
What is the molecular formula of 1,1'-Carbonylbis(3-methylimidazolium) triflate?
The molecular formula of 1,1'-Carbonylbis(3-methylimidazolium) triflate is C11H12F6N4O7S2.
What is the molecular weight of 1,1'-Carbonylbis(3-methylimidazolium) triflate?
The molecular weight of 1,1'-Carbonylbis(3-methylimidazolium) triflate is 490.01 g/mol.
Where can I buy 1,1'-Carbonylbis(3-methylimidazolium) triflate?
You can request a quote for 1,1'-Carbonylbis(3-methylimidazolium) triflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Carbonylbis(3-methylimidazolium) triflate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Carbonylbis(3-methylimidazolium) triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.