CAS RN: 83227-01-4
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260311 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260611 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251125 | 1g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250221 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20250123 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS83227-01-4
- Purity/Analytical Methods: >99.0%
83227-01-4 / 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
Basic Information
CAS
83227-01-4
Multi CAS
No
Molecular Formula
C5H7CLN2O
Molecular Weight
146.570000
Exact Mass
146.024691
InChI
InChI=1S/C5H7ClN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3
InChIKey
PGYXLMWYFOXGGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.23
TPSA
38.92
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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