CAS RN: 2376733-15-0

4-(5-bromo[1,1′-biphenyl]-2-yl)-dibenzofuran

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2376733-15-0
  • Purity/Analytical Methods: >99.0%
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2376733-15-0 / 4-(4-bromo-2-phenylphenyl)dibenzofuran

Standard CAS: 2376733-15-0 Multi CAS: No

Basic Information

CAS
2376733-15-0
Multi CAS
No
Molecular Formula
C24H15BrO
Molecular Weight
399.300000
Exact Mass
398.030630
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)C3=CC=CC4=C3OC5=CC=CC=C45
InChI
InChI=1S/C24H15BrO/c25-17-13-14-18(22(15-17)16-7-2-1-3-8-16)20-10-6-11-21-19-9-4-5-12-23(19)26-24(20)21/h1-15H
InChIKey
ZOJHMSYAQXBSQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
112.29
TPSA
13.14

LogP / Solubility

WLOGP
7.68
MLOGP
6.78
XLogP3
7.6
Consensus LogP
7.35
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
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)
0.3

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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