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CAS 296792-52-4 3-(4,5-BIS-BIPHENYL-4-YL-1H-IMIDAZOL-2-YL)-PHENOL molecular structure lightbox
CAS RN: 296792-52-4

3-(4,5-BIS-BIPHENYL-4-YL-1H-IMIDAZOL-2-YL)-PHENOL

  • Product code: SSC-132746
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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 296792-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

296792-52-4 / 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol

Standard CAS: 296792-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
296792-52-4
Multi CAS
No
Molecular Formula
C33H24N2O
Molecular Weight
464.600000
Exact Mass
464.188863
InChI
InChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35)
InChIKey
JTVSGRFYVCXWNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
35
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
147.43
TPSA
48.91

LogP / Solubility

WLOGP
8.45
MLOGP
7.47
XLogP3
7.9
Consensus LogP
7.94
Log S (ESOL)
-8.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
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)
0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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