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CAS 2226735-55-1 GSK547 molecular structure lightbox
CAS RN: 2226735-55-1

GSK547

Product Availability

Choose a grade to view its available package options.

12 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250828 10mg In stock Shanghai Inquiry
Batchno.20250331 1mg In stock Wuhan Inquiry
Batchno.20250105 250mg Out of stock Inquiry
Batchno.20251101 25mg In stock Shanghai Inquiry
Batchno.20250323 50mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250701 5mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg In stock Inquiry
Batchno.20251009 1mg Out of stock Inquiry
Batchno.20250309 25mg In stock Inquiry
Batchno.20250426 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 1ml In stock Inquiry
  • Product code: SSC-107344
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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 2226735-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry

2226735-55-1 / 6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

Standard CAS: 2226735-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2226735-55-1
Multi CAS
No
Molecular Formula
C20H18F2N6O
Molecular Weight
396.400000
Exact Mass
396.151016
SMILES
C1CN(CCC1C(=O)N2[C@@H](CC=N2)C3=CC(=CC(=C3)F)F)C4=NC=NC(=C4)C#N
InChI
InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1
InChIKey
SJVGFKBLUYAEOK-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
100.74
TPSA
85.48

LogP / Solubility

WLOGP
2.8
MLOGP
2.49
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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