CAS RN: 2229864-78-0
1-(3-Bromophenyl)dibenzofuran
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250625 | 100g | Out of stock | Inquiry | ||
| Batchno.20260402 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20250722 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251211 | 25g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250801 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS2229864-78-0
- Purity/Analytical Methods: >99.0%
2229864-78-0 / 1-(3-bromophenyl)dibenzofuran
Basic Information
CAS
2229864-78-0
Multi CAS
No
Molecular Formula
C18H11BrO
Molecular Weight
323.200000
Exact Mass
321.999330
SMILES
C1=CC=C2C(=C1)C3=C(C=CC=C3O2)C4=CC(=CC=C4)Br
InChI
InChI=1S/C18H11BrO/c19-13-6-3-5-12(11-13)14-8-4-10-17-18(14)15-7-1-2-9-16(15)20-17/h1-11H
InChIKey
ZCBGTNAAPYCTQF-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
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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