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CAS 943516-54-9 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane molecular structure lightbox
CAS RN: 943516-54-9

6,6-Dimethyl-3-azabicyclo[3.1.0]hexane

  • Product code: SSC-209062
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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, 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 943516-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

943516-54-9 / 6,6-dimethyl-3-azabicyclo[3.1.0]hexane

Standard CAS: 943516-54-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943516-54-9
Multi CAS
Yes
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
InChI
InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
InChIKey
BGOMFPZIMJCRDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.63
TPSA
12.03

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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