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CAS RN: 1393585-66-4
2,4-dibroMo-6-fluorobenzonitrile
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.20250215 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-049921
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
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1393585-66-4 / 2,4-dibromo-6-fluorobenzonitrile
Basic Information
CAS
1393585-66-4
Multi CAS
No
Molecular Formula
C7H2Br2FN
Molecular Weight
278.900000
Exact Mass
278.851750
SMILES
C1=C(C=C(C(=C1F)C#N)Br)Br
InChI
InChI=1S/C7H2Br2FN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKey
VEJXWWDHQYGSQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
46.52
TPSA
23.79
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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