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CAS 1171930-30-5 2-(2,4-Difluorophenyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 1171930-30-5

2-(2,4-Difluorophenyl)-1,3,4-oxadiazole

  • Product code: SSC-017058
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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 1171930-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1171930-30-5 / 2-(2,4-difluorophenyl)-1,3,4-oxadiazole

2-(2,4-difluorophenyl)-1,3,4-oxadiazole | MFCD15204134 | SCHEMBL29541755

Standard CAS: 1171930-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1171930-30-5
Multi CAS
No
Molecular Formula
C8H4F2N2O
Molecular Weight
182.130000
Exact Mass
182.029169
SMILES
C1=CC(=C(C=C1F)F)C2=NN=CO2
InChI
InChI=1S/C8H4F2N2O/c9-5-1-2-6(7(10)3-5)8-12-11-4-13-8/h1-4H
InChIKey
MRHPBLVDSJLJND-UHFFFAOYSA-N
Synonyms
2-(2,4-difluorophenyl)-1,3,4-oxadiazole MFCD15204134 SCHEMBL29541755 BS-30177 SY389860

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.65
TPSA
38.92

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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