CAS RN: 163719-73-1
ETHYL 3-TERT-BUTYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-071106
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 10g | >95% | 3 In Stock | Hong Kong | Inquiry |
163719-73-1 / ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate
Basic Information
CAS
163719-73-1
Multi CAS
No
Molecular Formula
C9H14N2O3
Molecular Weight
198.220000
Exact Mass
198.100442
SMILES
CCOC(=O)C1=NC(=NO1)C(C)(C)C
InChI
InChI=1S/C9H14N2O3/c1-5-13-7(12)6-10-8(11-14-6)9(2,3)4/h5H2,1-4H3
InChIKey
VZDMDNVKCBYOAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.95
TPSA
65.22
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
2.4
Consensus LogP
1.77
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.83
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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