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CAS 17043-94-6 PYRIMIDINE N-OXIDE molecular structure lightbox
CAS RN: 17043-94-6

PYRIMIDINE N-OXIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250711 1g In stock Inquiry
Batchno.20260204 250mg In stock Inquiry
Batchno.20251220 5g In stock Inquiry
  • Product code: SSC-075001
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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 17043-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

17043-94-6 / 1-oxidopyrimidin-1-ium

Standard CAS: 17043-94-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17043-94-6
Multi CAS
No
Molecular Formula
C4H4N2O
Molecular Weight
96.090000
Exact Mass
96.032363
SMILES
C1=CN=C[N+](=C1)[O-]
InChI
InChI=1S/C4H4N2O/c7-6-3-1-2-5-4-6/h1-4H
InChIKey
OQZGLXOADHKTDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
23.2
TPSA
39.83

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.8
Consensus LogP
-0.45
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very 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)
-3.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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