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CAS 1423120-66-4 6-Chloroindole-5-carbonitrile molecular structure lightbox
CAS RN: 1423120-66-4

6-Chloroindole-5-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-053178
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1423120-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1423120-66-4 / 6-chloro-1H-indole-5-carbonitrile

Standard CAS: 1423120-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1423120-66-4
Multi CAS
No
Molecular Formula
C9H5ClN2
Molecular Weight
176.600000
Exact Mass
176.014126
SMILES
C1=CNC2=CC(=C(C=C21)C#N)Cl
InChI
InChI=1S/C9H5ClN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H
InChIKey
MRYYCCSCMQNXIG-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
48.02
TPSA
39.58

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-1.89

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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