CAS RN: 121960-22-3
(2S)-2-amino-4,4-difluorobutanoic 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.20260116 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS121960-22-3
- Purity/Analytical Methods: >99.0%
121960-22-3 / (2S)-2-amino-4,4-difluorobutanoic acid
Basic Information
CAS
121960-22-3
Multi CAS
No
Molecular Formula
C4H7F2NO2
Molecular Weight
139.100000
Exact Mass
139.044485
SMILES
C([C@@H](C(=O)O)N)C(F)F
InChI
InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1
InChIKey
VIUCNIMDPZQXAD-REOHCLBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.23
TPSA
63.32
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-2.2
Consensus LogP
-0.7
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-3.53
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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