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: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 100g | -- | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
496807-97-7 / 3,3-difluoropiperidine;hydrochloride
Basic Information
CAS
496807-97-7
Multi CAS
Yes
Molecular Formula
C5H10CLF2N
Molecular Weight
157.590000
Exact Mass
157.046983
InChI
InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-3-8-4-5;/h8H,1-4H2;1H
InChIKey
LEHHIPIDKQVNEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.3
TPSA
12.03
LogP / Solubility
WLOGP
1.43
MLOGP
1.25
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.67
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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