CAS RN: 2247616-83-5
potassium 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate*
- Product code: SSC-109867
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 | Shenzhen | Inquiry |
2247616-83-5 / potassium 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
Basic Information
CAS
2247616-83-5
Multi CAS
No
Molecular Formula
C7H9KN2O3
Molecular Weight
208.260000
Exact Mass
208.025024
SMILES
CC(C)(C)C1=NC(=NO1)C(=O)[O-].[K+]
InChI
InChI=1S/C7H10N2O3.K/c1-7(2,3)6-8-4(5(10)11)9-12-6;/h1-3H3,(H,10,11);/q;+1/p-1
InChIKey
GGVQMZOBXOVQPR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
37.33
TPSA
79.05
LogP / Solubility
WLOGP
-3.27
MLOGP
-2.87
XLogP3
-3.27
Consensus LogP
-3.14
Log S (ESOL)
0.71
Class (ESOL)
Highly soluble
Log S (Ali)
1.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.58
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)
-6.31
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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