CAS RN: 1372711-70-0
Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate
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.20250405 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-046729
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: 0.25g, 1g, 5g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
1372711-70-0 / methyl 5-bromo-2-methyltriazole-4-carboxylate
Basic Information
CAS
1372711-70-0
Multi CAS
No
Molecular Formula
C5H6BrN3O2
Molecular Weight
220.020000
Exact Mass
218.964340
SMILES
CN1N=C(C(=N1)Br)C(=O)OC
InChI
InChI=1S/C5H6BrN3O2/c1-9-7-3(4(6)8-9)5(10)11-2/h1-2H3
InChIKey
BSHWJBSHZPLXDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.04
TPSA
57.01
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
1.5
Consensus LogP
0.73
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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