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CAS 50847-09-1 2-BROMO-1H-IMIDAZOLE-4,5-DICARBONITRILE molecular structure lightbox
CAS RN: 50847-09-1

2-BROMO-1H-IMIDAZOLE-4,5-DICARBONITRILE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260219 1g In stock Inquiry
Batchno.20251121 250mg In stock Inquiry
Batchno.20260218 50mg In stock Inquiry
Batchno.20260523 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250329 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-157599
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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 50847-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

50847-09-1 / 2-bromo-1H-imidazole-4,5-dicarbonitrile

Standard CAS: 50847-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50847-09-1
Multi CAS
Yes
Molecular Formula
BC5HRn4
Molecular Weight
196.990000
Exact Mass
195.938460
InChI
InChI=1S/C5HBrN4/c6-5-9-3(1-7)4(2-8)10-5/h(H,9,10)
InChIKey
WMPWSWMSTJAAPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.72
TPSA
76.26

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
1.2
Consensus LogP
0.98
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.27

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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