1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate
TL;DR: 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate (CAS 797789-01-6) is a chemical compound with molecular formula C12H21F3N2O3S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
Also Known As: 1-HEXYL-2,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHANSULFONATE, 1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate, trifluoromethanesulfonate, 1-Hexyl-2,3-dimethylimidazolium, 1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
| Molecular Formula | C12H21F3N2O3S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.25272 |
| Topological Polar Surface Area | 66.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1225 |
| Heavy Atoms | 21 |
| Complexity | 524.3402 |
Chemical Identifiers
| CAS Number | 797789-01-6 |
|---|---|
| SMILES | CCCCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate (CAS 797789-01-6), with molecular formula C12H21F3N2O3S and molecular weight 330.12 g/mol. IUPAC: 1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate.
Chemical Property Profile of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate
Property Insights of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate
The XLogP value of 2.25272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate. The TPSA of 66.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate. Following Lipinski's Rule of Five, 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate has 0 hydrogen bond donor(s) and 3 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-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate?
The CAS number of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate is 797789-01-6.
What is the molecular formula of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate?
The molecular formula of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate is C12H21F3N2O3S.
What is the molecular weight of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate?
The molecular weight of 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate is 330.12 g/mol.
Where can I buy 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate?
You can request a quote for 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-2,3-dimethylimidazolium trifluoromethansulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.