CAS RN: 224434-83-7
6-Bromo-3-cyanoindole
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.20260123 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-109573
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: ≥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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
224434-83-7 / 6-bromo-1H-indole-3-carbonitrile
Basic Information
CAS
224434-83-7
Multi CAS
No
Molecular Formula
C9H5BrN2
Molecular Weight
221.050000
Exact Mass
219.963610
SMILES
C1=CC2=C(C=C1Br)NC=C2C#N
InChI
InChI=1S/C9H5BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H
InChIKey
PUBXTAVHPDZLBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.71
TPSA
39.58
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
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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