CAS RN: 392-11-0
1H-Benzimidazole,4-(trifluoromethyl)-(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.20251203 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS392-11-0
- Purity/Analytical Methods: >99.0%
392-11-0 / 4-(trifluoromethyl)-1H-benzimidazole
Basic Information
CAS
392-11-0
Multi CAS
Yes
Molecular Formula
C8F3H5N2
Molecular Weight
186.130000
Exact Mass
186.040483
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)5-2-1-3-6-7(5)13-4-12-6/h1-4H,(H,12,13)
InChIKey
FKGDDNPWZXAZFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.1
TPSA
28.68
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.4
Consensus LogP
2.42
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.02
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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