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CAS 34122-28-6 4-(3-PHENYLPROPYL)PYRIDINE N-OXIDE molecular structure lightbox
CAS RN: 34122-28-6

4-(3-PHENYLPROPYL)PYRIDINE N-OXIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34122-28-6
  • Purity/Analytical Methods: >99.0%
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34122-28-6 / 1-oxido-4-(3-phenylpropyl)pyridin-1-ium

Standard CAS: 34122-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34122-28-6
Multi CAS
Yes
Molecular Formula
C14H15NO
Molecular Weight
213.270000
Exact Mass
213.115364
InChI
InChI=1S/C14H15NO/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChIKey
OOFBEJNEUVLZOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
63.87
TPSA
26.94

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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