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CAS 252917-06-9 CHIR 99021 molecular structure lightbox
CAS RN: 252917-06-9

CHIR 99021

Product Availability

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14 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100mg In stock Shanghai Inquiry
Batchno.20250915 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250404 1mg In stock Shanghai Inquiry
Batchno.20250927 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250516 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20251007 5g In stock Shanghai Inquiry
Batchno.20260420 5mg / 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100mg Out of stock Inquiry
Batchno.20251229 25mg In stock Inquiry
Batchno.20260213 25mg In stock Inquiry
Batchno.20251130 500mg In stock Inquiry
Batchno.20250928 5mg In stock Inquiry
Batchno.20250201 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 1ml In stock Inquiry
  • Product code: SSC-121122
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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: 0.25g
  • 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 252917-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

252917-06-9 / 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile

Standard CAS: 252917-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252917-06-9
Multi CAS
No
Molecular Formula
C22H18Cl2N8
Molecular Weight
465.300000
Exact Mass
464.103148
SMILES
CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N
InChI
InChI=1S/C22H18Cl2N8/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)
InChIKey
AQGNHMOJWBZFQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
23
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
125.74
TPSA
115.2

LogP / Solubility

WLOGP
4.94
MLOGP
4.38
XLogP3
4.3
Consensus LogP
4.54
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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