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CAS 1167055-46-0 1H-Indole-7-carbonitrile, 4-broMo- molecular structure lightbox
CAS RN: 1167055-46-0

1H-Indole-7-carbonitrile, 4-broMo-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016638
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1167055-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1167055-46-0 / 4-bromo-1H-indole-7-carbonitrile

4-bromo-1h-indole-7-carbonitrile | MFCD11845629 | 1H-Indole-7-carbonitrile, 4-bromo-

Standard CAS: 1167055-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167055-46-0
Multi CAS
No
Molecular Formula
C9H5BrN2
Molecular Weight
221.050000
Exact Mass
219.963610
SMILES
C1=CC(=C2C=CNC2=C1C#N)Br
InChI
InChI=1S/C9H5BrN2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4,12H
InChIKey
JRCFPOKROROTNV-UHFFFAOYSA-N
Synonyms
4-bromo-1h-indole-7-carbonitrile MFCD11845629 1H-Indole-7-carbonitrile, 4-bromo- 4-Bromoindole-7-carbonitrile SCHEMBL2123782

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
2.5
Consensus LogP
2.59
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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