![CAS 955959-86-1 2-(4-bromophenyl)dibenzo[b,d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955959-86-1.gif)
CAS RN: 955959-86-1
2-(4-bromophenyl)dibenzo[b,d]furan
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS955959-86-1
- Purity/Analytical Methods: >99.0%
955959-86-1 / 2-(4-bromophenyl)dibenzofuran
Basic Information
CAS
955959-86-1
Multi CAS
No
Molecular Formula
C18H11BRO
Molecular Weight
323.200000
Exact Mass
321.999330
InChI
InChI=1S/C18H11BrO/c19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11H
InChIKey
ALXCEAWHEVDVHS-UHFFFAOYSA-N
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
6.4
Consensus LogP
5.91
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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