CAS RN: 89943-00-0
2-cyclobutyl-1H-iMidazole
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.20260622 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS89943-00-0
- Purity/Analytical Methods: >99.0%
89943-00-0 / 2-cyclobutyl-1H-imidazole
Basic Information
CAS
89943-00-0
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
InChI
InChI=1S/C7H10N2/c1-2-6(3-1)7-8-4-5-9-7/h4-6H,1-3H2,(H,8,9)
InChIKey
CNOAXNNBTQYBCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.18
TPSA
28.68
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.2
Consensus LogP
1.45
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
