![CAS 2087889-86-7 4-bromo-2-chlorodibenzo[b,d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2087889-86-7.png)
CAS RN: 2087889-86-7
4-bromo-2-chlorodibenzo[b,d]furan
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-098108
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g, 10g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2087889-86-7 / 4-bromo-2-chlorodibenzofuran
Basic Information
CAS
2087889-86-7
Multi CAS
No
Molecular Formula
C12H6BrClO
Molecular Weight
281.530000
Exact Mass
279.929060
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC(=C3)Cl)Br
InChI
InChI=1S/C12H6BrClO/c13-10-6-7(14)5-9-8-3-1-2-4-11(8)15-12(9)10/h1-6H
InChIKey
GTKMDPKQBVDGOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
66.43
TPSA
13.14
LogP / Solubility
WLOGP
5
MLOGP
4.41
XLogP3
5
Consensus LogP
4.8
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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