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CAS 228559-41-9 Ki8751 molecular structure lightbox
CAS RN: 228559-41-9

Ki8751

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100mg In stock Shenzhen Inquiry
Batchno.20250126 10mg In stock Shanghai Inquiry
Batchno.20260619 1g Out of stock Inquiry
Batchno.20250504 250mg Out of stock Inquiry
Batchno.20251127 25mg In stock Shanghai Inquiry
Batchno.20250918 50mg In stock Shanghai Inquiry
Batchno.20250428 5mg In stock Shanghai Inquiry
  • Product code: SSC-111215
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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 228559-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

228559-41-9 / 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]urea

Standard CAS: 228559-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228559-41-9
Multi CAS
No
Molecular Formula
C24H18F3N3O4
Molecular Weight
469.400000
Exact Mass
469.124941
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4=C(C=C(C=C4)F)F)F
InChI
InChI=1S/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
InChIKey
LFKQSJNCVRGFCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.32
TPSA
81.71

LogP / Solubility

WLOGP
6.11
MLOGP
5.41
XLogP3
4.5
Consensus LogP
5.34
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.25

Drug-likeness / Medicinal Chemistry

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

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