CAS RN: 868696-42-8
5-cyclopropyl-1,2,4-oxadiazol-3-amine(SALTDATA: FREE)
- Product code: SSC-196182
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 |
868696-42-8 / 5-cyclopropyl-1,2,4-oxadiazol-3-amine
Basic Information
CAS
868696-42-8
Multi CAS
Yes
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
InChI
InChI=1S/C5H7N3O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
OHSZRALIDGBNES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.69
TPSA
64.94
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.11
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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