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CAS 1440964-89-5 PLB-1001 molecular structure lightbox
CAS RN: 1440964-89-5

PLB-1001

Product Availability

Choose a grade to view its available package options.

7 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100mg Out of stock Inquiry
Batchno.20250514 1mg In stock Shanghai Inquiry
Batchno.20250629 1mg / 5mg / 25mg Confirm by inquiry Shanghai, Hebei Inquiry
Batchno.20251007 250mg Out of stock Inquiry
Batchno.20250602 25mg Out of stock Inquiry
Batchno.20250507 2mg Out of stock Inquiry
Batchno.20251127 50mg Out of stock Inquiry
  • Product code: SSC-055352
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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 1440964-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1440964-89-5 / 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 1440964-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1440964-89-5
Multi CAS
No
Molecular Formula
C20H15F3N8
Molecular Weight
424.400000
Exact Mass
424.137177
SMILES
CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
InChI
InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
InChIKey
QHXLXUIZUCJRKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
103.94
TPSA
78.72

LogP / Solubility

WLOGP
3.49
MLOGP
3.1
XLogP3
2.1
Consensus LogP
2.9
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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