1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
TL;DR: 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate (CAS 765910-73-4) is a chemical compound with molecular formula C10H17F3N2O3S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
Also Known As: 1-BUTYL-2,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE, trifluoromethanesulfonate, 1-butyl-2,3-dimethylimidazolium, 1-butyl-2,3-dimethylimidazolium triflate, Tox21_202616
| Molecular Formula | C10H17F3N2O3S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.47252 |
| Topological Polar Surface Area | 66.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0912 |
| Heavy Atoms | 19 |
| Complexity | 494.60843 |
Chemical Identifiers
| CAS Number | 765910-73-4 |
|---|---|
| SMILES | CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate (CAS 765910-73-4), with molecular formula C10H17F3N2O3S and molecular weight 302.09 g/mol. IUPAC: 1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate.
Chemical Property Profile of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
Property Insights of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
The XLogP value of 1.47252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate. The TPSA of 66.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate. Following Lipinski's Rule of Five, 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate 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-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate?
The CAS number of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate is 765910-73-4.
What is the molecular formula of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate?
The molecular formula of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate is C10H17F3N2O3S.
What is the molecular weight of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate?
The molecular weight of 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate is 302.09 g/mol.
Where can I buy 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate?
You can request a quote for 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.