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: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 1
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >98% | 1 In Stock | Beijing | Inquiry |
| 1g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
21987-29-1 / 4,4-difluoropiperidine
Basic Information
CAS
21987-29-1
Multi CAS
No
Molecular Formula
C5H9F2N
Molecular Weight
121.130000
Exact Mass
121.070306
SMILES
C1CNCCC1(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
InChIKey
MJOUJKDTBGXKIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.05
TPSA
12.03
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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