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CAS 13389-59-8 2-(1,2,4-Oxadiazol-3-yl)pyridine molecular structure lightbox
CAS RN: 13389-59-8

2-(1,2,4-Oxadiazol-3-yl)pyridine

  • Product code: SSC-040924
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13389-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13389-59-8 / 3-pyridin-2-yl-1,2,4-oxadiazole

Standard CAS: 13389-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13389-59-8
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
SMILES
C1=CC=NC(=C1)C2=NOC=N2
InChI
InChI=1S/C7H5N3O/c1-2-4-8-6(3-1)7-9-5-11-10-7/h1-5H
InChIKey
ZAAIEOSUVDRLGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
37.53
TPSA
51.81

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.4
Consensus LogP
0.84
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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