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: 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
849482-21-9 / 2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochloride
Basic Information
CAS
849482-21-9
Multi CAS
Yes
Molecular Formula
C4H12CL2N2
Molecular Weight
167.100000
Exact Mass
166.087968
InChI
InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;
InChIKey
CVVIJWRCGSYCMB-VHGLFXLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.24
TPSA
24.06
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
