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CAS 905587-44-2 1-(5-fluoropyriMidin-2-yl)ethanone molecular structure lightbox
CAS RN: 905587-44-2

1-(5-fluoropyriMidin-2-yl)ethanone

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251017 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260429 1g In stock Shanghai Inquiry
Batchno.20250614 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260106 25g In stock Shanghai Inquiry
Batchno.20250811 5g In stock Shanghai Inquiry
  • Product code: SSC-203089
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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, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 905587-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

905587-44-2 / 1-(5-fluoropyrimidin-2-yl)ethanone

Standard CAS: 905587-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
905587-44-2
Multi CAS
No
Molecular Formula
C6FH5N2O
Molecular Weight
140.110000
Exact Mass
140.038591
InChI
InChI=1S/C6H5FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChIKey
NNJJXGKCENQOJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.99
TPSA
42.85

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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