CAS RN: 1923735-65-2

N-([1,1′-biphenyl]-3-yl)dibenzo[b,d]thiophen-3-amine

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  • Product code: starshine_CAS1923735-65-2
  • Purity/Analytical Methods: >99.0%
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1923735-65-2 / N-(3-phenylphenyl)dibenzothiophen-3-amine

Standard CAS: 1923735-65-2 Multi CAS: No

Basic Information

CAS
1923735-65-2
Multi CAS
No
Molecular Formula
C24H17NS
Molecular Weight
351.500000
Exact Mass
351.108171
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC4=C(C=C3)C5=CC=CC=C5S4
InChI
InChI=1S/C24H17NS/c1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-22-21-11-4-5-12-23(21)26-24(22)16-20/h1-16,25H
InChIKey
KRXFSMPPSULRHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
114.49
TPSA
12.03

LogP / Solubility

WLOGP
7.47
MLOGP
6.59
XLogP3
7.4
Consensus LogP
7.15
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.44

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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