CAS RN: 4887-91-6
1H-Benzimidazole,5-chloro-2-propyl-(9CI)
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS4887-91-6
- Purity/Analytical Methods: >99.0%
4887-91-6 / 6-chloro-2-propyl-1H-benzimidazole
Basic Information
CAS
4887-91-6
Multi CAS
No
Molecular Formula
C10H11CLN2
Molecular Weight
194.660000
Exact Mass
194.061076
InChI
InChI=1S/C10H11ClN2/c1-2-3-10-12-8-5-4-7(11)6-9(8)13-10/h4-6H,2-3H2,1H3,(H,12,13)
InChIKey
OIIZPYFXIHFYQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.1
TPSA
28.68
LogP / Solubility
WLOGP
3.17
MLOGP
2.79
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.66
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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