CAS RN: 136725-54-7
(S)-3-FLUORO-PYRROLIDINE
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.20260510 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS136725-54-7
- Purity/Analytical Methods: >99.0%
136725-54-7 / (3S)-3-fluoropyrrolidine
Basic Information
CAS
136725-54-7
Multi CAS
No
Molecular Formula
C4H8FN
Molecular Weight
89.110000
Exact Mass
89.064077
SMILES
C1CNC[C@H]1F
InChI
InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m0/s1
InChIKey
CDDGNGVFPQRJJM-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.38
TPSA
12.03
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.04
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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