![CAS 821768-06-3 4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821768-06-3.gif)
CAS RN: 821768-06-3
4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 100mg | Out of stock | Inquiry | |
| Batchno.20250114 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250719 | 1g | Out of stock | Inquiry | |
| Batchno.20260512 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251215 | 250mg | Out of stock | Inquiry | |
| Batchno.20260214 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250517 | 50mg | Out of stock | Inquiry | |
| Batchno.20250614 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS821768-06-3
- Purity/Analytical Methods: >99.0%
821768-06-3 / 4-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
Basic Information
CAS
821768-06-3
Multi CAS
No
Molecular Formula
C17F6H15N5O
Molecular Weight
419.320000
Exact Mass
419.118079
InChI
InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)
InChIKey
JFRYYGVYCWYIDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
91.28
TPSA
61.36
LogP / Solubility
WLOGP
3.87
MLOGP
3.43
XLogP3
3
Consensus LogP
3.43
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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