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CAS 53460-46-1 1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE molecular structure lightbox
CAS RN: 53460-46-1

1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE

  • Product code: SSC-160808
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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 53460-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

53460-46-1 / 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

Standard CAS: 53460-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53460-46-1
Multi CAS
Yes
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
InChI
InChI=1S/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3
InChIKey
FRAKHUZTNLUGPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.53
TPSA
12.03

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.11

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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