CAS RN: 22300-52-3
4,5-Dibromo-2H-1,2,3-triazole
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260523 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251202 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260517 | 250mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20251023 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260104 | 500g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250514 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250407 | 5g / 10g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22300-52-3
- Purity/Analytical Methods: >99.0%
22300-52-3 / 5-bromo-2-methyltriazole-4-carboxylic acid
Basic Information
CAS
22300-52-3
Multi CAS
No
Molecular Formula
C4H4BrN3O2
Molecular Weight
206.000000
Exact Mass
204.948690
SMILES
CN1N=C(C(=N1)Br)C(=O)O
InChI
InChI=1S/C4H4BrN3O2/c1-8-6-2(4(9)10)3(5)7-8/h1H3,(H,9,10)
InChIKey
MEEKMZNPDDHRHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.66
TPSA
68.01
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
1.1
Consensus LogP
0.54
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.78
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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