CAS RN: 934047-83-3
1,3-Bis(cyanomethyl)imidazolium chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250727 | 100mg / 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | 8-10 business days | Inquiry |
- Product code: starshine_CAS934047-83-3
- Purity/Analytical Methods: >99.0%
934047-83-3 / 2-[3-(cyanomethyl)imidazol-3-ium-1-yl]acetonitrile chloride
Basic Information
CAS
934047-83-3
Multi CAS
No
Molecular Formula
C7H7CLN4
Molecular Weight
182.610000
Exact Mass
182.035924
InChI
InChI=1S/C7H7N4.ClH/c8-1-3-10-5-6-11(7-10)4-2-9;/h5-7H,3-4H2;1H/q+1;/p-1
InChIKey
PZSHHOPVYJHGQL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.85
TPSA
56.39
LogP / Solubility
WLOGP
-3.17
MLOGP
-2.79
XLogP3
-3.17
Consensus LogP
-3.04
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
1.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.55
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)
-6.09
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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