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CAS 1408074-85-0 exo-2-(Boc-amino)-8-azabicyclo[3.2.1]octane molecular structure lightbox
CAS RN: 1408074-85-0

exo-2-(Boc-amino)-8-azabicyclo[3.2.1]octane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1408074-85-0
  • Purity/Analytical Methods: >99.0%
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1408074-85-0 / tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate

Standard CAS: 1408074-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408074-85-0
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CC[C@H]1N2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-8-4-6-9(10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1
InChIKey
KAZCIFZEEFNPOF-AEJSXWLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.34
TPSA
50.36

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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