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CAS 1446275-54-2 3,6-di(pyridin-4-yl)-9H-carbazole molecular structure lightbox
CAS RN: 1446275-54-2

3,6-di(pyridin-4-yl)-9H-carbazole

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1446275-54-2
  • Purity/Analytical Methods: >99.0%
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1446275-54-2 / 3,6-dipyridin-4-yl-9H-carbazole

Standard CAS: 1446275-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446275-54-2
Multi CAS
No
Molecular Formula
C22H15N3
Molecular Weight
321.400000
Exact Mass
321.126597
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)C4=C(N2)C=CC(=C4)C5=CC=NC=C5
InChI
InChI=1S/C22H15N3/c1-3-21-19(13-17(1)15-5-9-23-10-6-15)20-14-18(2-4-22(20)25-21)16-7-11-24-12-8-16/h1-14,25H
InChIKey
COOAKNLLDYWZBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.27
TPSA
41.57

LogP / Solubility

WLOGP
5.45
MLOGP
4.81
XLogP3
4.5
Consensus LogP
4.92
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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