Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
22393-36-8 / dichlorocopper;2-piperidin-1-id-2-ylpiperidin-1-ide
Basic Information
CAS
22393-36-8
Multi CAS
No
Molecular Formula
C10H18Cl2CuN2-2
Molecular Weight
300.710000
Exact Mass
299.014301
SMILES
C1CC[N-]C(C1)C2CCCC[N-]2.Cl[Cu]Cl
InChI
InChI=1S/C10H18N2.2ClH.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h9-10H,1-8H2;2*1H;/q-2;;;+2/p-2
InChIKey
NOOYCKBWPILABH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.44
TPSA
28.2
LogP / Solubility
WLOGP
4.22
MLOGP
3.72
XLogP3
4.22
Consensus LogP
4.05
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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