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CAS 280-57-9 1,4-Diazabicyclo[2.2.2]octane molecular structure lightbox
CAS RN: 280-57-9

1,4-Diazabicyclo[2.2.2]octane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251010 50g / 100g / 250g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-128546
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 280-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
500g >98% 5 In Stock Shenzhen Inquiry
1000g >98% 5 In Stock Shenzhen Inquiry

280-57-9 / 1,4-diazabicyclo[2.2.2]octane

Standard CAS: 280-57-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
280-57-9
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
C1CN2CCN1CC2
InChI
InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChIKey
IMNIMPAHZVJRPE-UHFFFAOYSA-N

Physical Properties

Melting Point
158 °C
Boiling Point
174 °C
Density
1.14 at 28 °C (Water = 1)[NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Ver 2006.01.30 Updated. National Institute of Technology and Evaluation. Tokyo, Japan. Thiodiethylene glycolBicyclo
Physical Description
Pellets or Large Crystals; Liquid; Other Solid White crystals with an ammonia-like odour; Sublimes (goes directly from solid to vapour) readily at room temperature; Extremely hygroscopic (absorbs moisture from the air); [CHEMINFO]
Appearance
Colorless hygroscopic crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
32.88
TPSA
6.48

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.35
XLogP3
-0.2
Consensus LogP
-0.31
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very 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)
-3.68

Drug-likeness / Medicinal Chemistry

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

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