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CAS 1084334-27-9 2- (3-bromophenyl) dibenzofuran molecular structure lightbox
CAS RN: 1084334-27-9

2- (3-bromophenyl) dibenzofuran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1084334-27-9
  • Purity/Analytical Methods: >99.0%
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1084334-27-9 / 2-(3-bromophenyl)dibenzofuran

2-(3-bromophenyl)dibenzofuran | 2-(3-Bromophenyl)dibenzo[b,d]furan | SCHEMBL805010

Standard CAS: 1084334-27-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1084334-27-9
Multi CAS
Yes
Molecular Formula
C18H11BrO
Molecular Weight
323.200000
Exact Mass
321.999330
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C4=CC(=CC=C4)Br
InChI
InChI=1S/C18H11BrO/c19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)20-18/h1-11H
InChIKey
NXFRHDBTYGPEDX-UHFFFAOYSA-N
Synonyms
2-(3-bromophenyl)dibenzofuran 2-(3-Bromophenyl)dibenzo[b,d]furan SCHEMBL805010 SCHEMBL29632081 SCHEMBL30449000

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
86.86
TPSA
13.14

LogP / Solubility

WLOGP
6.02
MLOGP
5.31
XLogP3
6
Consensus LogP
5.78
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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
No
Log Kp (skin permeation)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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