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CAS 876716-11-9 3-(3-PYRIDIN-3-YL-1,2,4-OXADIAZOL-5-YL)PROPANOIC ACID molecular structure lightbox
CAS RN: 876716-11-9

3-(3-PYRIDIN-3-YL-1,2,4-OXADIAZOL-5-YL)PROPANOIC ACID

  • Product code: SSC-197868
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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: 5g
  • 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 876716-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

876716-11-9 / 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid

Standard CAS: 876716-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
876716-11-9
Multi CAS
No
Molecular Formula
C10H9N3O3
Molecular Weight
219.200000
Exact Mass
219.064391
InChI
InChI=1S/C10H9N3O3/c14-9(15)4-3-8-12-10(13-16-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,15)
InChIKey
XFXBCTUNCOJZGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.49
TPSA
89.11

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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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