![CAS 959406-40-7 3-Bromomethyl-5-methyl[1,2,4]oxadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959406-40-7.gif)
CAS RN: 959406-40-7
3-Bromomethyl-5-methyl[1,2,4]oxadiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-211668
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 | Hong Kong | Inquiry |
959406-40-7 / 3-(bromomethyl)-5-methyl-1,2,4-oxadiazole
Basic Information
CAS
959406-40-7
Multi CAS
No
Molecular Formula
BC4H5ORn2
Molecular Weight
177.000000
Exact Mass
175.958530
InChI
InChI=1S/C4H5BrN2O/c1-3-6-4(2-5)7-8-3/h2H2,1H3
InChIKey
NNNHJUIJOCYFBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.67
TPSA
38.92
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
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)
-2.9
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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