CAS RN: 151911-19-2
(3R)-3-Amino-4,4,4-trifluorobutanoic acid
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.20250909 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS151911-19-2
- Purity/Analytical Methods: >99.0%
151911-19-2 / (3R)-3-amino-4,4,4-trifluorobutanoic acid
Basic Information
CAS
151911-19-2
Multi CAS
No
Molecular Formula
C4H6F3NO2
Molecular Weight
157.090000
Exact Mass
157.035063
SMILES
C([C@H](C(F)(F)F)N)C(=O)O
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)/t2-/m1/s1
InChIKey
XRXQOEWWPPJVII-UWTATZPHSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.28
TPSA
63.32
LogP / Solubility
WLOGP
0.35
MLOGP
0.3
XLogP3
-2.3
Consensus LogP
-0.55
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.43
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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