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CAS 15082-28-7 2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 15082-28-7

2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole

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4 package records3 with current stock2 grade groups
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Batchno.20251129 10g Out of stock 20 business days Inquiry
Batchno.20250927 1g In stock Shanghai, Shandong Inquiry
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  • Product code: ICTB1767
  • Purity/Analytical Methods: >98.0%(GC)
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15082-28-7 / 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

Standard CAS: 15082-28-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15082-28-7
Multi CAS
No
Molecular Formula
C24H22N2O
Molecular Weight
354.400000
Exact Mass
354.173213
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKey
XZCJVWCMJYNSQO-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
109.31
TPSA
38.92

LogP / Solubility

WLOGP
6.37
MLOGP
5.62
XLogP3
6.4
Consensus LogP
6.13
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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)
-0.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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