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CAS 1797989-42-4 CHIR-99021 (monohydrochloride) molecular structure lightbox
CAS RN: 1797989-42-4

CHIR-99021 (monohydrochloride)

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 100mg In stock Inquiry
Batchno.20250605 1mg In stock Inquiry
Batchno.20250905 25mg In stock Inquiry
Batchno.20250816 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-080113
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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: 0.1g
  • 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 1797989-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1797989-42-4 / 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile;hydrochloride

Standard CAS: 1797989-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1797989-42-4
Multi CAS
No
Molecular Formula
C22H19Cl3N8
Molecular Weight
501.800000
Exact Mass
500.079826
SMILES
CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N.Cl
InChI
InChI=1S/C22H18Cl2N8.ClH/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19;/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32);1H
InChIKey
SCQDMKUZHIGAIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
23
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
132.99
TPSA
115.2

LogP / Solubility

WLOGP
5.36
MLOGP
4.75
XLogP3
5.36
Consensus LogP
5.16
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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