CAS RN: 39769-09-0
4-Fluoro-N-(4-fluorobenzylidene)aniline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251005 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTF0892
- Purity/Analytical Methods: >98.0%(GC)(T)
39769-09-0 / N,1-bis(4-fluorophenyl)methanimine
Basic Information
CAS
39769-09-0
Multi CAS
Yes
Molecular Formula
C13F2H9N
Molecular Weight
217.210000
Exact Mass
217.070306
InChI
InChI=1S/C13H9F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H
InChIKey
FRNJXANITCYEMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.05
TPSA
12.36
LogP / Solubility
WLOGP
3.72
MLOGP
3.27
XLogP3
3
Consensus LogP
3.33
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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