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CAS 71-33-0 5-AZAURACIL molecular structure lightbox
CAS RN: 71-33-0

5-AZAURACIL

  • Product code: SSC-180685
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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 71-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

71-33-0 / 1H-1,3,5-triazine-2,4-dione

Standard CAS: 71-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71-33-0
Multi CAS
Yes
Molecular Formula
C3H3N3O2
Molecular Weight
113.080000
Exact Mass
113.022526
InChI
InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
InChIKey
GEWRKGDRYZIFNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.48
TPSA
78.61

LogP / Solubility

WLOGP
-1.54
MLOGP
-1.37
XLogP3
-1.9
Consensus LogP
-1.6
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.88
Class (SILICOS-IT)
Highly 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)
-4.5

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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