CAS RN: 805315-83-7
5-BROMO-4-METHYL-1H-1,2,3-TRIAZOLE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-189336
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
805315-83-7 / 4-bromo-5-methyl-2H-triazole
Basic Information
CAS
805315-83-7
Multi CAS
Yes
Molecular Formula
BC3H4Rn3
Molecular Weight
161.990000
Exact Mass
160.958860
InChI
InChI=1S/C3H4BrN3/c1-2-3(4)6-7-5-2/h1H3,(H,5,6,7)
InChIKey
DYZZACNOVJTLJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.82
TPSA
41.57
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.09
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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