![CAS 1820712-71-7 2-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine(WXFC0441) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820712-71-7.gif)
CAS RN: 1820712-71-7
2-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine(WXFC0441)
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.20260211 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1820712-71-7
- Purity/Analytical Methods: >99.0%
1820712-71-7 / 2-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
Basic Information
CAS
1820712-71-7
Multi CAS
No
Molecular Formula
C7H3BrF3N3
Molecular Weight
266.020000
Exact Mass
264.946240
SMILES
C1=CC2=NC(=NN2C=C1C(F)(F)F)Br
InChI
InChI=1S/C7H3BrF3N3/c8-6-12-5-2-1-4(7(9,10)11)3-14(5)13-6/h1-3H
InChIKey
QZPXMFWTBIRKJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
45.69
TPSA
30.19
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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