CAS RN: 327056-22-4
VU 0285683
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6 package records5 with current stock1 grade group
- Product code: starshine_CAS327056-22-4
- Purity/Analytical Methods: >99.0%
327056-22-4 / 3-fluoro-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
Basic Information
CAS
327056-22-4
Multi CAS
No
Molecular Formula
C14FH7N4O
Molecular Weight
266.230000
Exact Mass
266.060389
InChI
InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H
InChIKey
GELAFISMURFRCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.64
TPSA
75.6
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 327056-43-9 2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/327056-43-9.gif)
