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CAS 73550-56-8 2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 73550-56-8

2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID

  • Product code: SSC-182972
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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: 0.1g
  • 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 73550-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

73550-56-8 / 2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Standard CAS: 73550-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73550-56-8
Multi CAS
Yes
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
InChI
InChI=1S/C6H9NO2/c8-5(9)6-1-4(2-6)3-7-6/h4,7H,1-3H2,(H,8,9)
InChIKey
XEVFXAFXZZYFSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.09
TPSA
49.33

LogP / Solubility

WLOGP
-0.18
MLOGP
-0.16
XLogP3
-2.5
Consensus LogP
-0.95
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-3.62

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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