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CAS 4002-81-7 4,5-Dibromo-2-methylimidazole molecular structure lightbox
CAS RN: 4002-81-7

4,5-Dibromo-2-methylimidazole

  • Product code: SSC-147901
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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: ＞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 4002-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

4002-81-7 / 4,5-dibromo-2-methyl-1H-imidazole

Standard CAS: 4002-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4002-81-7
Multi CAS
Yes
Molecular Formula
C4H4BR2N2
Molecular Weight
239.900000
Exact Mass
239.872070
InChI
InChI=1S/C4H4Br2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
InChIKey
DBFMQNPRKMLHLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.72
TPSA
28.68

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.59

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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