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CAS 5457-28-3 3-Cyanoindole molecular structure lightbox
CAS RN: 5457-28-3

3-Cyanoindole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260512 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing 5-7 business days Inquiry
  • Product code: SSC-162289
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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: 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 5457-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 1 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

5457-28-3 / 1H-indole-3-carbonitrile

Standard CAS: 5457-28-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5457-28-3
Multi CAS
Yes
Molecular Formula
C9H6N2
Molecular Weight
142.160000
Exact Mass
142.053098
InChI
InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey
CHIFTAQVXHNVRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.01
TPSA
39.58

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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