CAS RN: 2006278-26-6
4-Aminotetrahydropyran-4-carbonitrile Hydrochloride
- Product code: SSC-094570
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, 0.1g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 | >95% | 4 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
2006278-26-6 / 4-aminooxane-4-carbonitrile;hydrochloride
Basic Information
CAS
2006278-26-6
Multi CAS
No
Molecular Formula
C6H11ClN2O
Molecular Weight
162.620000
Exact Mass
162.055991
SMILES
C1COCCC1(C#N)N.Cl
InChI
InChI=1S/C6H10N2O.ClH/c7-5-6(8)1-3-9-4-2-6;/h1-4,8H2;1H
InChIKey
PIXPZAQNJHLAPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.83
TPSA
59.04
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.44
Consensus LogP
0.42
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.4
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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