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CAS 235426-30-9 2-BROMO-1,4-DIMETHYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 235426-30-9

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

  • Product code: SSC-114380
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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 235426-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

235426-30-9 / 2-bromo-1,4-dimethylimidazole

Standard CAS: 235426-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235426-30-9
Multi CAS
No
Molecular Formula
C5H7BrN2
Molecular Weight
175.030000
Exact Mass
173.979260
SMILES
CC1=CN(C(=N1)Br)C
InChI
InChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKey
JKVMBWITGAWCIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
35.65
TPSA
17.82

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.73

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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