CAS RN: 159013-90-8
1,2,5-Oxadiazol-3(2H)-one,4-amino-(9CI)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-067142
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
159013-90-8 / 4-amino-1,2,5-oxadiazol-3-one
Basic Information
CAS
159013-90-8
Multi CAS
No
Molecular Formula
C2H3N3O2
Molecular Weight
101.060000
Exact Mass
101.022526
SMILES
C1(=NONC1=O)N
InChI
InChI=1S/C2H3N3O2/c3-1-2(6)5-7-4-1/h(H2,3,4)(H,5,6)
InChIKey
QJXLSWFBBQFLTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
21.54
TPSA
84.91
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.94
XLogP3
-0.8
Consensus LogP
-0.93
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.56
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)
-4.09
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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