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CAS RN: 374633-26-8
6-BROMO-4-CYANOINDOLE
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.20250921 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS374633-26-8
- Purity/Analytical Methods: >99.0%
374633-26-8 / 6-bromo-1H-indole-4-carbonitrile
Basic Information
CAS
374633-26-8
Multi CAS
No
Molecular Formula
BC9H5Rn2
Molecular Weight
221.050000
Exact Mass
219.963610
InChI
InChI=1S/C9H5BrN2/c10-7-3-6(5-11)8-1-2-12-9(8)4-7/h1-4,12H
InChIKey
ZGACZDHTHZGXJB-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
3.2
Consensus LogP
2.82
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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