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CAS 913830-15-6 3-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile molecular structure lightbox
CAS RN: 913830-15-6

3-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250507 100mg In stock Shanghai Inquiry
Batchno.20250519 250mg In stock Shanghai Inquiry
Batchno.20260326 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260615 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS913830-15-6
  • Purity/Analytical Methods: >99.0%
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913830-15-6 / 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile

Standard CAS: 913830-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
913830-15-6
Multi CAS
No
Molecular Formula
C14H8N4O
Molecular Weight
248.240000
Exact Mass
248.069811
InChI
InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
InChIKey
HGFXDSQLRSWUBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.68
TPSA
75.6

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.1
Consensus LogP
2.38
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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