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CAS 2043-06-3 2,5-BIS(4-BIPHENYLYL)-1,3,4-OXADIAZOLE molecular structure lightbox
CAS RN: 2043-06-3

2,5-BIS(4-BIPHENYLYL)-1,3,4-OXADIAZOLE

  • Product code: SSC-096093
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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: ≥98%
  • 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 2043-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

2043-06-3 / 2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole

Standard CAS: 2043-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2043-06-3
Multi CAS
No
Molecular Formula
C26H18N2O
Molecular Weight
374.400000
Exact Mass
374.141913
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
IVVYVRLKDGGUEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
29
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
116.04
TPSA
38.92

LogP / Solubility

WLOGP
6.74
MLOGP
5.95
XLogP3
6.3
Consensus LogP
6.33
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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