![CAS 1253789-47-7 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1253789-47-7.gif)
CAS RN: 1253789-47-7
6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250508 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1253789-47-7
- Purity/Analytical Methods: >99.0%
1253789-47-7 / 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
Basic Information
CAS
1253789-47-7
Multi CAS
No
Molecular Formula
C8H8BrN3
Molecular Weight
226.070000
Exact Mass
224.990160
SMILES
CCC1=NN=C2N1C=C(C=C2)Br
InChI
InChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3
InChIKey
FFECVJVIICFPED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.07
TPSA
30.19
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.7
Consensus LogP
2.19
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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