CAS RN: 70631-95-7
4-Methyl-1H-iMidazole-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS70631-95-7
- Purity/Analytical Methods: >99.0%
70631-95-7 / 5-methyl-1H-imidazole-2-carbonitrile
Basic Information
CAS
70631-95-7
Multi CAS
No
Molecular Formula
C5H5N3
Molecular Weight
107.110000
Exact Mass
107.048347
InChI
InChI=1S/C5H5N3/c1-4-3-7-5(2-6)8-4/h3H,1H3,(H,7,8)
InChIKey
SMSBRGXJBHXFMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.04
TPSA
52.47
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-2.95
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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