CAS RN: 121960-24-5
(2S)-2-AMINO-4-FLUORO-BUTANOIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250302 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS121960-24-5
- Purity/Analytical Methods: >99.0%
121960-24-5 / (2S)-2-amino-4-fluorobutanoic acid
Basic Information
CAS
121960-24-5
Multi CAS
No
Molecular Formula
C4H8FNO2
Molecular Weight
121.110000
Exact Mass
121.053907
SMILES
C(CF)[C@@H](C(=O)O)N
InChI
InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
InChIKey
LJYFXGDRJCHELF-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.2
TPSA
63.32
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.22
XLogP3
-3.4
Consensus LogP
-1.29
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.63
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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