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: >97%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 66328-69-6
Pack Size
Recorded Purity
Available Qty
Ship From
Inquiry
1g
>97%
0
Out of Stock
Beijing
Inquiry
66328-69-6 / 4-nitro-1,2,5-oxadiazol-3-amine
Standard CAS: 66328-69-6
Multi CAS: Yes
Basic Information
copy
CAS
66328-69-6 copy
Multi CAS
Yes copy
Molecular Formula
C2H2N4O3 copy
Molecular Weight
130.060000 copy
Exact Mass
130.012690 copy
InChI
InChI=1S/C2H2N4O3/c3-1-2(6(7)8)5-9-4-1/h(H2,3,4) copy
InChIKey
HAFURWXQHTZNTN-UHFFFAOYSA-N copy
Computed Properties
copy
Structural Parameters
Heavy atom count
9 copy
Aromatic heavy atom count
5 copy
Rotatable bonds
1 copy
H-bond acceptors
6 copy
H-bond donors
1 copy
Molar refractivity
25.36 copy
TPSA
108.08 copy
LogP / Solubility
WLOGP
-0.44 copy
MLOGP
-0.4 copy
XLogP3
0.1 copy
Consensus LogP
-0.25 copy
Log S (ESOL)
-0.71 copy
Class (ESOL)
Very soluble copy
Log S (Ali)
-0.31 copy
Class (Ali)
Very soluble copy
Log S (SILICOS-IT)
-0.26 copy
Class (SILICOS-IT)
Very soluble copy
ADME
GI absorption
Low copy
BBB permeant
No copy
P-gp substrate
No copy
CYP1A2 inhibitor
No copy
CYP2C19 inhibitor
No copy
CYP2C9 inhibitor
No copy
CYP2D6 inhibitor
No copy
CYP3A4 inhibitor
No copy
Log Kp (skin permeation)
-3.83 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
No copy
Veber
Yes copy
Egan
Yes copy
Muegge
No copy
Bioavailability score
0.55 copy
Brenk alerts
1 copy
Leadlikeness
No copy
Synthetic Accessibility
1.5 copy