CAS RN: 797789-01-6
1-HEXYL-2,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHANSULFONATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260319 | 100g | In stock | Shenzhen | Inquiry | |
| Batchno.20260221 | 1g | In stock | Shenzhen, Wuhan | Inquiry | |
| Batchno.20251118 | 25g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250809 | 25g / 100g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250728 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS797789-01-6
- Purity/Analytical Methods: >99.0%
797789-01-6 / 1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
Basic Information
CAS
797789-01-6
Multi CAS
No
Molecular Formula
C12F3H21N2O3S
Molecular Weight
330.370000
Exact Mass
330.122498
InChI
InChI=1S/C11H21N2.CHF3O3S/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;2-1(3,4)8(5,6)7/h9-10H,4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
BQBJIBLQQWXKBH-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
70.24
TPSA
66.01
LogP / Solubility
WLOGP
2.25
MLOGP
2
XLogP3
2.25
Consensus LogP
2.17
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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