CAS RN: 1528469-78-4
Abemaciclib Impurity 6
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.20260127 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1528469-78-4
- Purity/Analytical Methods: >99.0%
1528469-78-4 / 4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
Basic Information
CAS
1528469-78-4
Multi CAS
No
Molecular Formula
C11H13FN2
Molecular Weight
192.230000
Exact Mass
192.106277
SMILES
CC1=NC2=C(N1C(C)C)C=CC=C2F
InChI
InChI=1S/C11H13FN2/c1-7(2)14-8(3)13-11-9(12)5-4-6-10(11)14/h4-7H,1-3H3
InChIKey
ZVFJFEGSVJUASC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.81
TPSA
17.82
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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