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, 0.1g, 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 | -- | 4 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 4 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
408538-41-0 / 4-piperidin-4-ylbutanenitrile
Basic Information
CAS
408538-41-0
Multi CAS
No
Molecular Formula
C9H16N2
Molecular Weight
152.240000
Exact Mass
152.131349
InChI
InChI=1S/C9H16N2/c10-6-2-1-3-9-4-7-11-8-5-9/h9,11H,1-5,7-8H2
InChIKey
OULFZHGRTNJEBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.06
TPSA
35.82
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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