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CAS 86119-58-6 1H-IMIDAZOLE, 4-BROMO-2-PHENYL- molecular structure lightbox
CAS RN: 86119-58-6

1H-IMIDAZOLE, 4-BROMO-2-PHENYL-

  • Product code: SSC-194971
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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 86119-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

86119-58-6 / 5-bromo-2-phenyl-1H-imidazole

Standard CAS: 86119-58-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86119-58-6
Multi CAS
Yes
Molecular Formula
BC9H7Rn2
Molecular Weight
223.070000
Exact Mass
221.979260
InChI
InChI=1S/C9H7BrN2/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChIKey
IXVCTTCVYGDFSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.72
TPSA
28.68

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.06

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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