![CAS 516494-46-5 2-(TERT-BUTYL)-7-PIPERAZINO-5-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4690872.gif)
CAS RN: 516494-46-5
2-(TERT-BUTYL)-7-PIPERAZINO-5-(TRIFLUOROMETHYL)PYRAZOLO[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.20250403 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS516494-46-5
- Purity/Analytical Methods: >99.0%
516494-46-5 / 2-tert-butyl-7-piperazin-1-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Basic Information
CAS
516494-46-5
Multi CAS
No
Molecular Formula
C15F3H20N5
Molecular Weight
327.350000
Exact Mass
327.167080
InChI
InChI=1S/C15H20F3N5/c1-14(2,3)10-8-12-20-11(15(16,17)18)9-13(23(12)21-10)22-6-4-19-5-7-22/h8-9,19H,4-7H2,1-3H3
InChIKey
GOIBENJQABAIQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.77
TPSA
45.46
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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