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CAS 803647-40-7 NSC59984,NCI59984 molecular structure lightbox
CAS RN: 803647-40-7

NSC59984,NCI59984

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 100mg In stock Shanghai Inquiry
Batchno.20250131 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20260317 1g In stock Shanghai Inquiry
Batchno.20250927 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251111 250mg In stock Shanghai Inquiry
Batchno.20250306 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20260527 2mg In stock Shanghai, Wuhan Inquiry
Batchno.20250201 50mg In stock Shanghai Inquiry
Batchno.20260510 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-189249
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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 803647-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

803647-40-7 / 1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Standard CAS: 803647-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
803647-40-7
Multi CAS
Yes
Molecular Formula
C12H15N3O4
Molecular Weight
265.260000
Exact Mass
265.106256
InChI
InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/b4-2+
InChIKey
QKTRIGNWBRHBFV-DUXPYHPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
68.47
TPSA
79.83

LogP / Solubility

WLOGP
0.97
MLOGP
0.87
XLogP3
0.4
Consensus LogP
0.75
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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