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CAS 54581-69-0 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide molecular structure lightbox
CAS RN: 54581-69-0

1,4-Diazabicyclo[2.2.2]octane Dihydrobromide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251220 1g In stock Inquiry
Batchno.20260509 250mg In stock Inquiry
Batchno.20260502 25g In stock Inquiry
Batchno.20260526 5g In stock Inquiry
  • Product code: SSC-162301
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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 54581-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

54581-69-0 / 1,4-diazabicyclo[2.2.2]octane;dihydrobromide

Standard CAS: 54581-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54581-69-0
Multi CAS
No
Molecular Formula
C6H14BR2N2
Molecular Weight
274.000000
Exact Mass
273.950320
InChI
InChI=1S/C6H12N2.2BrH/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;2*1H
InChIKey
GPELLQBNVCIHJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.52
TPSA
6.48

LogP / Solubility

WLOGP
0.77
MLOGP
0.69
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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