CAS RN: 16652-37-2
BETA-FLUORO-DL-ALANINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251011 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS16652-37-2
- Purity/Analytical Methods: >99.0%
16652-37-2 / 2-amino-3-fluoropropanoic acid
Basic Information
CAS
16652-37-2
Multi CAS
No
Molecular Formula
C3H6FNO2
Molecular Weight
107.080000
Exact Mass
107.038257
SMILES
C(C(C(=O)O)N)F
InChI
InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey
UYTSRQMXRROFPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.59
TPSA
63.32
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.57
XLogP3
-3
Consensus LogP
-1.4
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.82
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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