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CAS 175275-72-6 (1S,4R)-2-Azabicyclo[2.2.1]heptane molecular structure lightbox
CAS RN: 175275-72-6

(1S,4R)-2-Azabicyclo[2.2.1]heptane

  • Product code: SSC-076897
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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 175275-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

175275-72-6 / (1S,4R)-2-azabicyclo[2.2.1]heptane

Standard CAS: 175275-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175275-72-6
Multi CAS
No
Molecular Formula
C6H11N
Molecular Weight
97.160000
Exact Mass
97.089149
SMILES
C1C[C@H]2C[C@@H]1CN2
InChI
InChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/t5-,6+/m1/s1
InChIKey
GYLMCBOAXJVARF-RITPCOANSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.13
TPSA
12.03

LogP / Solubility

WLOGP
0.76
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-2.77

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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