CAS RN: 1857296-19-5
5-bromo-4-methyl-1H-indole-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.20250805 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-085987
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1857296-19-5 / 5-bromo-4-methyl-1H-indole-2-carbonitrile
Basic Information
CAS
1857296-19-5
Multi CAS
No
Molecular Formula
C10H7BrN2
Molecular Weight
235.080000
Exact Mass
233.979260
SMILES
CC1=C(C=CC2=C1C=C(N2)C#N)Br
InChI
InChI=1S/C10H7BrN2/c1-6-8-4-7(5-12)13-10(8)3-2-9(6)11/h2-4,13H,1H3
InChIKey
OTNFIACSSLPWBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.45
TPSA
39.58
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.95
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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