CAS RN: 122565-28-0
(S)-5,5,5-trifluoronorvaline
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.20260227 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS122565-28-0
- Purity/Analytical Methods: >99.0%
122565-28-0 / (2S)-2-amino-5,5,5-trifluoropentanoic acid
Basic Information
CAS
122565-28-0
Multi CAS
No
Molecular Formula
C5H8F3NO2
Molecular Weight
171.120000
Exact Mass
171.050713
SMILES
C(CC(F)(F)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKey
KTZZIDWVKLDWBF-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.9
TPSA
63.32
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
-1.5
Consensus LogP
-0.04
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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