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CAS 1186663-64-8 3-Bromo-4-cyanoindole molecular structure lightbox
CAS RN: 1186663-64-8

3-Bromo-4-cyanoindole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-018594
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186663-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1186663-64-8 / 3-bromo-1H-indole-4-carbonitrile

3-BROMO-4-CYANOINDOLE | 3-BROMO-1H-INDOLE-4-CARBONITRILE | MFCD12828700

Standard CAS: 1186663-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-64-8
Multi CAS
No
Molecular Formula
C9H5BrN2
Molecular Weight
221.050000
Exact Mass
219.963610
SMILES
C1=CC(=C2C(=C1)NC=C2Br)C#N
InChI
InChI=1S/C9H5BrN2/c10-7-5-12-8-3-1-2-6(4-11)9(7)8/h1-3,5,12H
InChIKey
FFSJNHMOWYMQJQ-UHFFFAOYSA-N
Synonyms
3-BROMO-4-CYANOINDOLE 3-BROMO-1H-INDOLE-4-CARBONITRILE MFCD12828700 SCHEMBL3778298 DTXSID10693846

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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