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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
155778-84-0 / 4-(4-methylpiperazin-1-yl)cyclohexan-1-one
Basic Information
CAS
155778-84-0
Multi CAS
No
Molecular Formula
C11H20N2O
Molecular Weight
196.290000
Exact Mass
196.157563
SMILES
CN1CCN(CC1)C2CCC(=O)CC2
InChI
InChI=1S/C11H20N2O/c1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10/h10H,2-9H2,1H3
InChIKey
NAOHDHPUKPYRAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.33
TPSA
23.55
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.39
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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