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CAS 279-85-6 6-AZA-BICYCLO[3.2.1]OCTANE molecular structure lightbox
CAS RN: 279-85-6

6-AZA-BICYCLO[3.2.1]OCTANE

  • Product code: SSC-128328
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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 279-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

279-85-6 / 6-azabicyclo[3.2.1]octane

Standard CAS: 279-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
279-85-6
Multi CAS
Yes
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
InChI
InChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2
InChIKey
VJPPDEZWWKCSIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.75
TPSA
12.03

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.58

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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