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CAS 1613191-99-3 2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide(WXC04788) molecular structure lightbox
CAS RN: 1613191-99-3

2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide(WXC04788)

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg In stock Shanghai Inquiry
Batchno.20251223 10mg In stock Shanghai Inquiry
Batchno.20260508 1g In stock Shanghai Inquiry
Batchno.20260206 250mg In stock Shanghai Inquiry
Batchno.20251216 25mg In stock Shanghai Inquiry
Batchno.20250304 50mg In stock Shanghai Inquiry
Batchno.20250720 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 1ml In stock Inquiry
  • Product code: SSC-068978
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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: 0.025g, 0.05g, 0.1g, 0.25g
  • Available purity: >98%
  • 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 1613191-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g >98% 0 Out of Stock Beijing Inquiry
0.05g >98% 0 Out of Stock Hong Kong Inquiry
0.1g >98% 0 Out of Stock Beijing Inquiry
0.25g >98% 0 Out of Stock Hong Kong Inquiry

1613191-99-3 / 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Standard CAS: 1613191-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1613191-99-3
Multi CAS
No
Molecular Formula
C25H29F2N9O3
Molecular Weight
541.600000
Exact Mass
541.236142
SMILES
C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F
InChI
InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
InChIKey
QAYHKBLKSXWOEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
2
Molar refractivity
137.2
TPSA
134.22

LogP / Solubility

WLOGP
1
MLOGP
0.92
XLogP3
0.1
Consensus LogP
0.67
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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