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CAS 933-87-9 1-methyl-5-bromo-4-nitroimidazole molecular structure lightbox
CAS RN: 933-87-9

1-methyl-5-bromo-4-nitroimidazole

  • Product code: SSC-207293
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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: 1g
  • 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 933-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

933-87-9 / 5-bromo-1-methyl-4-nitroimidazole

Standard CAS: 933-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933-87-9
Multi CAS
No
Molecular Formula
BC4H4O2Rn3
Molecular Weight
206.000000
Exact Mass
204.948690
InChI
InChI=1S/C4H4BrN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChIKey
PQZGBZGIQGQAFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
37.56
TPSA
60.96

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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