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CAS 28442-78-6 2-Chloroisophthalonitrile molecular structure lightbox
CAS RN: 28442-78-6

2-Chloroisophthalonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-129685
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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: 3
  • 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 28442-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

28442-78-6 / 2-chlorobenzene-1,3-dicarbonitrile

Standard CAS: 28442-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28442-78-6
Multi CAS
No
Molecular Formula
C8H3CLN2
Molecular Weight
162.570000
Exact Mass
161.998476
InChI
InChI=1S/C8H3ClN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChIKey
KELQMIQLTBTJNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
40.88
TPSA
47.58

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

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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