CAS RN: 933741-41-4
1H-BenziMidazole-7-carboxaldehyde, 2-(trifluoroMethyl)-
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.20250513 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS933741-41-4
- Purity/Analytical Methods: >99.0%
933741-41-4 / 2-(trifluoromethyl)-1H-benzimidazole-4-carbaldehyde
Basic Information
CAS
933741-41-4
Multi CAS
No
Molecular Formula
C9F3H5N2O
Molecular Weight
214.140000
Exact Mass
214.035397
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-3-1-2-5(4-15)7(6)14-8/h1-4H,(H,13,14)
InChIKey
LBXMNHZOYOADPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.48
TPSA
45.75
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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