CAS RN: 98892-76-3
1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260320 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS98892-76-3
- Purity/Analytical Methods: >99.0%
98892-76-3 / 1-ethyl-2,3-dimethylimidazol-3-ium bromide
Basic Information
CAS
98892-76-3
Multi CAS
Yes
Molecular Formula
BC7H13Rn2
Molecular Weight
205.100000
Exact Mass
204.026210
InChI
InChI=1S/C7H13N2.BrH/c1-4-9-6-5-8(3)7(9)2;/h5-6H,4H2,1-3H3;1H/q+1;/p-1
InChIKey
GITMVCYKHULLDM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.02
TPSA
8.81
LogP / Solubility
WLOGP
-2.36
MLOGP
-2.07
XLogP3
-2.36
Consensus LogP
-2.26
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.84
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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