CAS RN: 1228634-93-2
3-fluoro-3-Pyrrolidinecarboxylic 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.20260604 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-026494
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1228634-93-2 / 3-fluoropyrrolidine-3-carboxylic acid
Basic Information
CAS
1228634-93-2
Multi CAS
No
Molecular Formula
C5H8FNO2
Molecular Weight
133.120000
Exact Mass
133.053907
SMILES
C1CNCC1(C(=O)O)F
InChI
InChI=1S/C5H8FNO2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3H2,(H,8,9)
InChIKey
IETFKCHBHKSILW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.96
TPSA
49.33
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.21
XLogP3
-2.6
Consensus LogP
-1.01
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-3.69
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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