CAS RN: 16681-72-4
5-bromo-1-methyl-1,2,4-triazole
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251104 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251117 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260604 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20251022 | 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
| Batchno.20251214 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250314 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-072788
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: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
16681-72-4 / 5-bromo-1-methyl-1,2,4-triazole
Basic Information
CAS
16681-72-4
Multi CAS
No
Molecular Formula
C3H4BrN3
Molecular Weight
161.990000
Exact Mass
160.958860
SMILES
CN1C(=NC=N1)Br
InChI
InChI=1S/C3H4BrN3/c1-7-3(4)5-2-6-7/h2H,1H3
InChIKey
ZYLIOXAULQKGII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
28.7
TPSA
30.71
LogP / Solubility
WLOGP
0.58
MLOGP
0.5
XLogP3
1
Consensus LogP
0.69
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
