CAS RN: 1330180-56-7
N-Nitrosopiperazine-d8
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1330180-56-7
- Purity/Analytical Methods: >99.0%
1330180-56-7 / 2,2,3,3,5,5,6,6-octadeuterio-1-nitrosopiperazine
Basic Information
CAS
1330180-56-7
Multi CAS
No
Molecular Formula
C4H9N3O
Molecular Weight
123.180000
Exact Mass
123.124776
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])N=O)([2H])[2H])[2H]
InChI
InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
CVTIZMOISGMZRJ-SVYQBANQSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.24
TPSA
44.7
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.39
XLogP3
0.2
Consensus LogP
-0.21
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.73
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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