![CAS 28565-42-6 7-Chloro-2-ethyl-5-methyl[1,2,4]triazolo-[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02690834.gif)
CAS RN: 28565-42-6
7-Chloro-2-ethyl-5-methyl[1,2,4]triazolo-[1,5-a]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS28565-42-6
- Purity/Analytical Methods: >99.0%
28565-42-6 / 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Basic Information
CAS
28565-42-6
Multi CAS
No
Molecular Formula
C8H9ClN4
Molecular Weight
196.640000
Exact Mass
196.051574
InChI
InChI=1S/C8H9ClN4/c1-3-7-11-8-10-5(2)4-6(9)13(8)12-7/h4H,3H2,1-2H3
InChIKey
RAYACWRGKMUCCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.91
TPSA
43.08
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
2.3
Consensus LogP
1.8
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.75
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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