![CAS 1442648-14-7 8-bromodibenzo[b,d]furan-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1442648-14-7.gif)
CAS RN: 1442648-14-7
8-bromodibenzo[b,d]furan-2-carbonitrile
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.20260608 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-055464
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: 1g
- Available purity: ≥95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1442648-14-7 / 8-bromodibenzofuran-2-carbonitrile
Basic Information
CAS
1442648-14-7
Multi CAS
No
Molecular Formula
C13H6BrNO
Molecular Weight
272.100000
Exact Mass
270.963280
SMILES
C1=CC2=C(C=C1C#N)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C13H6BrNO/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h1-6H
InChIKey
HKOVCIDTVHIWOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
H-bond acceptors
2
Molar refractivity
66.14
TPSA
36.93
LogP / Solubility
WLOGP
4.22
MLOGP
3.72
XLogP3
4.8
Consensus LogP
4.25
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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