CAS RN: 1424369-36-7

3-(3-(9H -Carbazol-9-yl)phenyl)benzofuro[2,3-b ]pyridine

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  • Product code: starshine_CAS1424369-36-7
  • Purity/Analytical Methods: >99.0%
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1424369-36-7 / 3-(3-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]pyridine

Standard CAS: 1424369-36-7 Multi CAS: No

Basic Information

CAS
1424369-36-7
Multi CAS
No
Molecular Formula
C29H18N2O
Molecular Weight
410.500000
Exact Mass
410.141913
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC6=C(N=C5)OC7=CC=CC=C76
InChI
InChI=1S/C29H18N2O/c1-4-13-26-22(10-1)23-11-2-5-14-27(23)31(26)21-9-7-8-19(16-21)20-17-25-24-12-3-6-15-28(24)32-29(25)30-18-20/h1-18H
InChIKey
XUIQOHBTUSXRTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
131.29
TPSA
30.96

LogP / Solubility

WLOGP
7.75
MLOGP
6.84
XLogP3
7.6
Consensus LogP
7.4
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
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
Yes
Log Kp (skin permeation)
0.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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