CAS RN: 5851-47-8
1H-Benzimidazole,2-(1-ethylpropyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5851-47-8
- Purity/Analytical Methods: >99.0%
5851-47-8 / 2-pentan-3-yl-1H-benzimidazole
Basic Information
CAS
5851-47-8
Multi CAS
Yes
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-3-9(4-2)12-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKey
QLXNYVPEFIFJIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.42
TPSA
28.68
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
3.6
Consensus LogP
3.37
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.41
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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