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CAS 1240562-11-1 3-Azabicyclo[3.2.1]octane-8-carboxylic acid molecular structure lightbox
CAS RN: 1240562-11-1

3-Azabicyclo[3.2.1]octane-8-carboxylic acid

  • Product code: SSC-027795
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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 1240562-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1240562-11-1 / 3-azabicyclo[3.2.1]octane-8-carboxylic acid

Standard CAS: 1240562-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240562-11-1
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
C1CC2CNCC1C2C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-1-2-6(7)4-9-3-5/h5-7,9H,1-4H2,(H,10,11)
InChIKey
JRALIEYOLZNWNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.21
TPSA
49.33

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
-2.2
Consensus LogP
-0.54
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.44

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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