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CAS 16084-57-4 3-Azabicyclo[3.2.0]heptane hydrochloride molecular structure lightbox
CAS RN: 16084-57-4

3-Azabicyclo[3.2.0]heptane hydrochloride

  • Product code: SSC-068591
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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, 0.25g, 1g, 5g
  • 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 16084-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

16084-57-4 / 3-azabicyclo[3.2.0]heptane;hydrochloride

Standard CAS: 16084-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16084-57-4
Multi CAS
No
Molecular Formula
C6H12ClN
Molecular Weight
133.620000
Exact Mass
133.065827
SMILES
C1CC2C1CNC2.Cl
InChI
InChI=1S/C6H11N.ClH/c1-2-6-4-7-3-5(1)6;/h5-7H,1-4H2;1H
InChIKey
ZYMVRRSVCSOBSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.33
TPSA
12.03

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-2.8

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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