CAS RN: 6442-87-1
Pyrrolidine, 1-(trifluoroacetyl)- (7CI,8CI,9CI)
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.20260525 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6442-87-1
- Purity/Analytical Methods: >99.0%
6442-87-1 / 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone
Basic Information
CAS
6442-87-1
Multi CAS
No
Molecular Formula
C6F3H8NO
Molecular Weight
167.130000
Exact Mass
167.055798
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H2
InChIKey
YFYRIJLSZRYGEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
31.87
TPSA
20.31
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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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