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CAS 24447-14-1 2,5-di(thiophen-2-yl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 24447-14-1

2,5-di(thiophen-2-yl)-1,3,4-oxadiazole

  • Product code: SSC-118925
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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 24447-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

24447-14-1 / 2,5-dithiophen-2-yl-1,3,4-oxadiazole

Standard CAS: 24447-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24447-14-1
Multi CAS
No
Molecular Formula
C10H6N2OS2
Molecular Weight
234.300000
Exact Mass
233.992155
SMILES
C1=CSC(=C1)C2=NN=C(O2)C3=CC=CS3
InChI
InChI=1S/C10H6N2OS2/c1-3-7(14-5-1)9-11-12-10(13-9)8-4-2-6-15-8/h1-6H
InChIKey
NSEQPFDDIHMPDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
60.92
TPSA
38.92

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
2.5
Consensus LogP
3.05
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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