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CAS 936545-65-2 1-HYDROXYMETHYL-2-AZABICYCLO[2,2,2]OCTANE molecular structure lightbox
CAS RN: 936545-65-2

1-HYDROXYMETHYL-2-AZABICYCLO[2,2,2]OCTANE

  • Product code: SSC-208001
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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: 0.25g
  • 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 936545-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

936545-65-2 / 2-azabicyclo[2.2.2]octan-1-ylmethanol

Standard CAS: 936545-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936545-65-2
Multi CAS
No
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
InChI
InChI=1S/C8H15NO/c10-6-8-3-1-7(2-4-8)5-9-8/h7,9-10H,1-6H2
InChIKey
HVYZMMLSXWDJLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.78
TPSA
32.26

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.2
Consensus LogP
0.38
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.22

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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