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CAS 51069-11-5 4-PHENYLQUINUCLIDINE molecular structure lightbox
CAS RN: 51069-11-5

4-PHENYLQUINUCLIDINE

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Batchno.20250927 250mg Out of stock Inquiry
  • Product code: starshine_CAS51069-11-5
  • Purity/Analytical Methods: >99.0%
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51069-11-5 / 4-phenyl-1-azabicyclo[2.2.2]octane

Standard CAS: 51069-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51069-11-5
Multi CAS
No
Molecular Formula
C13H17N
Molecular Weight
187.280000
Exact Mass
187.136100
InChI
InChI=1S/C13H17N/c1-2-4-12(5-3-1)13-6-9-14(10-7-13)11-8-13/h1-5H,6-11H2
InChIKey
CSKNWIPXDBBWRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.41
TPSA
3.24

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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