![CAS 1820618-38-9 2-BroMo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02664323.gif)
CAS RN: 1820618-38-9
2-BroMo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine
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.20250610 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1820618-38-9
- Purity/Analytical Methods: >99.0%
1820618-38-9 / 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine
Basic Information
CAS
1820618-38-9
Multi CAS
No
Molecular Formula
C6H3BrFN3
Molecular Weight
216.010000
Exact Mass
214.949440
SMILES
C1=CC2=NC(=NN2C=C1F)Br
InChI
InChI=1S/C6H3BrFN3/c7-6-9-5-2-1-4(8)3-11(5)10-6/h1-3H
InChIKey
NKZLVNFWOAMUKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.65
TPSA
30.19
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
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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