CAS RN: 914349-75-0
5-(4-FLUOROPHENYL)PYRIDINE-2-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS914349-75-0
- Purity/Analytical Methods: >99.0%
914349-75-0 / 5-(4-fluorophenyl)pyridine-2-carbonitrile
Basic Information
CAS
914349-75-0
Multi CAS
No
Molecular Formula
C12FH7N2
Molecular Weight
198.200000
Exact Mass
198.059326
InChI
InChI=1S/C12H7FN2/c13-11-4-1-9(2-5-11)10-3-6-12(7-14)15-8-10/h1-6,8H
InChIKey
KALUPEPKKYIXDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.35
TPSA
36.68
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.6
Consensus LogP
2.6
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-1.97
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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