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CAS 52179-66-5 1,2-DIPHENYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 52179-66-5

1,2-DIPHENYL-1H-IMIDAZOLE

  • Product code: SSC-159262
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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: 5g
  • 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 52179-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

52179-66-5 / 1,2-diphenylimidazole

Standard CAS: 52179-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52179-66-5
Multi CAS
No
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
InChI
InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14/h1-12H
InChIKey
JNZXFLAEEPPCSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69
TPSA
17.82

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.3
Consensus LogP
3.32
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.55

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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