CAS RN: 327056-26-8
AZD 9272
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS327056-26-8
- Purity/Analytical Methods: >99.0%
327056-26-8 / 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
Basic Information
CAS
327056-26-8
Multi CAS
No
Molecular Formula
C14F2H6N4O
Molecular Weight
284.220000
Exact Mass
284.050967
InChI
InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
InChIKey
RBSPCALDSNXWEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.6
TPSA
75.6
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.3
Consensus LogP
2.62
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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