CAS RN: 2227197-34-2
(3S)-3-(fluoromethyl)pyrrolidine hydrochloride
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.20251030 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-107398
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2227197-34-2 / (3S)-3-(fluoromethyl)pyrrolidine;hydrochloride
Basic Information
CAS
2227197-34-2
Multi CAS
No
Molecular Formula
C5H11ClFN
Molecular Weight
139.600000
Exact Mass
139.056405
SMILES
C1CNC[C@H]1CF.Cl
InChI
InChI=1S/C5H10FN.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-4H2;1H/t5-;/m1./s1
InChIKey
YJLVCUNOYYRZMV-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.2
TPSA
12.03
LogP / Solubility
WLOGP
0.99
MLOGP
0.86
XLogP3
0.99
Consensus LogP
0.95
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.87
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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