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CAS 1425940-32-4 9-ethyl-3,6-di(pyridin-4-yl)-9H-carbazole molecular structure lightbox
CAS RN: 1425940-32-4

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINH887483
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1425940-32-4 / 9-ethyl-3,6-dipyridin-4-ylcarbazole

Standard CAS: 1425940-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1425940-32-4
Multi CAS
No
Molecular Formula
C24H19N3
Molecular Weight
349.400000
Exact Mass
349.157898
SMILES
CCN1C2=C(C=C(C=C2)C3=CC=NC=C3)C4=C1C=CC(=C4)C5=CC=NC=C5
InChI
InChI=1S/C24H19N3/c1-2-27-23-5-3-19(17-7-11-25-12-8-17)15-21(23)22-16-20(4-6-24(22)27)18-9-13-26-14-10-18/h3-16H,2H2,1H3
InChIKey
BYFMVJJSMNIBRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
25
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
111.58
TPSA
30.71

LogP / Solubility

WLOGP
5.94
MLOGP
5.24
XLogP3
4.8
Consensus LogP
5.33
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.64

Drug-likeness / Medicinal Chemistry

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

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