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CAS 23328-88-3 2-BROMO-4-METHYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 23328-88-3

2-BROMO-4-METHYL-1H-IMIDAZOLE

  • Product code: SSC-113056
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥97%
  • 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 23328-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

23328-88-3 / 2-bromo-5-methyl-1H-imidazole

Standard CAS: 23328-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23328-88-3
Multi CAS
No
Molecular Formula
C4H5BrN2
Molecular Weight
161.000000
Exact Mass
159.963610
SMILES
CC1=CN=C(N1)Br
InChI
InChI=1S/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
InChIKey
AYQISCMXBQVMSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.02
TPSA
28.68

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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