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CAS 52089-02-8 2-(4-PYRIDINYL)QUINOLINE molecular structure lightbox
CAS RN: 52089-02-8

2-(4-PYRIDINYL)QUINOLINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 50mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52089-02-8
  • Purity/Analytical Methods: >99.0%
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52089-02-8 / 2-pyridin-4-ylquinoline

Standard CAS: 52089-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52089-02-8
Multi CAS
No
Molecular Formula
C14H10N2
Molecular Weight
206.240000
Exact Mass
206.084398
InChI
InChI=1S/C14H10N2/c1-2-4-13-11(3-1)5-6-14(16-13)12-7-9-15-10-8-12/h1-10H
InChIKey
KTDMTKZWKXFJHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.97
TPSA
25.78

LogP / Solubility

WLOGP
3.3
MLOGP
2.9
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.64

Drug-likeness / Medicinal Chemistry

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

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