CAS RN: 23996-25-0
1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260529 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251119 | 500g | Out of stock | Inquiry | |
| Batchno.20250208 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250408 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shandong, Chongqing, Shanghai, Guangdong, Hebei | Inquiry |
- Product code: ICTC1486
- Purity/Analytical Methods: >70.0%(GC)
23996-25-0 / 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
Basic Information
CAS
23996-25-0
Multi CAS
No
Molecular Formula
C9H13N3
Molecular Weight
163.220000
Exact Mass
163.110947
SMILES
CCC1=NC(=CN1CCC#N)C
InChI
InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
InChIKey
UIDDPPKZYZTEGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
46.57
TPSA
41.61
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
0.9
Consensus LogP
1.34
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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