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CAS 894102-11-5 Bromo[(2,6-pyridinediyl)bis(3-methyl-1-imidazolyl-2-ylidene)]nickel Bromide molecular structure lightbox
CAS RN: 894102-11-5

Bromo[(2,6-pyridinediyl)bis(3-methyl-1-imidazolyl-2-ylidene)]nickel Bromide

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg Out of stock Inquiry
Batchno.20250414 1g Out of stock Inquiry
Batchno.20250812 250mg Out of stock Inquiry
  • Product code: SSC-201388
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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: ≥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 894102-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

894102-11-5 / bromonickel;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bromide

Standard CAS: 894102-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
894102-11-5
Multi CAS
No
Molecular Formula
C14H15BR2N4NI-4
Molecular Weight
457.800000
Exact Mass
456.899640
InChI
InChI=1S/C14H15N4.2BrH.Ni/c1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;/h3-9,11-12H,1-2H3;2*1H;/q-3;;;+1/p-2
InChIKey
OKUAPBJEDJKSQO-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.57
TPSA
12.96

LogP / Solubility

WLOGP
0.02
MLOGP
0.05
XLogP3
0.02
Consensus LogP
0.03
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
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)
-5.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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