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CAS 59893-25-3 2-Methyl-2,5-diazabicyclo[2.2.2]octane molecular structure lightbox
CAS RN: 59893-25-3

2-Methyl-2,5-diazabicyclo[2.2.2]octane

  • Product code: SSC-168462
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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 59893-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

59893-25-3 / 2-methyl-2,5-diazabicyclo[2.2.2]octane

Standard CAS: 59893-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59893-25-3
Multi CAS
No
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
InChI
InChI=1S/C7H14N2/c1-9-5-6-2-3-7(9)4-8-6/h6-8H,2-5H2,1H3
InChIKey
GXIMUJOQZCMEFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.44
TPSA
15.27

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.2
Consensus LogP
0.1
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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