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CAS 1613200-51-3 ATR inhibitor 1 molecular structure lightbox
CAS RN: 1613200-51-3

ATR inhibitor 1

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg In stock Shanghai Inquiry
Batchno.20250407 10mg In stock Shanghai Inquiry
Batchno.20250610 250mg In stock Shanghai Inquiry
Batchno.20260403 25mg In stock Shanghai Inquiry
Batchno.20250825 50mg In stock Shanghai Inquiry
Batchno.20260617 5mg In stock Shanghai Inquiry
  • Product code: SSC-068984
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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: 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 1613200-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1613200-51-3 / 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Standard CAS: 1613200-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1613200-51-3
Multi CAS
No
Molecular Formula
C16H12F2N8O
Molecular Weight
370.320000
Exact Mass
370.110213
SMILES
CN1C=NC=C1C2=C(C=NC=C2NC(=O)C3=C4N=CC(=CN4N=C3N)F)F
InChI
InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)
InChIKey
RBQPCTBFIPVIJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
91.71
TPSA
116.02

LogP / Solubility

WLOGP
1.64
MLOGP
1.46
XLogP3
0.2
Consensus LogP
1.1
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

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

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