CAS RN: 1084334-69-9
2-(4-bromobiphenyl) dibenzofuran
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1084334-69-9
- Purity/Analytical Methods: >99.0%
1084334-69-9 / 2-[4-(4-bromophenyl)phenyl]dibenzofuran
Dibenzofuran, 2-(4'-bromo[1,1'-biphenyl]-4-yl)- | 2-(4'-Bromo-[1,1'-biphenyl]-4-yl)dibenzo[b,d]furan | 2-[4-(4-bromophenyl)phenyl]dibenzofuran
Basic Information
CAS
1084334-69-9
Multi CAS
Yes
Molecular Formula
C24H15BrO
Molecular Weight
399.300000
Exact Mass
398.030630
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H15BrO/c25-20-12-9-17(10-13-20)16-5-7-18(8-6-16)19-11-14-24-22(15-19)21-3-1-2-4-23(21)26-24/h1-15H
InChIKey
MUKVISGIELVVRS-UHFFFAOYSA-N
Synonyms
Dibenzofuran, 2-(4'-bromo[1,1'-biphenyl]-4-yl)-
2-(4'-Bromo-[1,1'-biphenyl]-4-yl)dibenzo[b,d]furan
2-[4-(4-bromophenyl)phenyl]dibenzofuran
2-(4'-Bromo[1,1'-biphenyl]-4-yl)-dibenzofuran
SCHEMBL3043527
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
8.1
Consensus LogP
7.52
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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