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CAS RN: 1398065-90-1
N-Acetylpiperazine-d4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1398065-90-1
- Purity/Analytical Methods: >99.0%
1398065-90-1 / 1-(3,3,5,5-tetradeuteriopiperazin-1-yl)ethanone
Basic Information
CAS
1398065-90-1
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
132.200000
Exact Mass
132.120070
SMILES
[2H]C1(CN(CC(N1)([2H])[2H])C(=O)C)[2H]
InChI
InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3/i2D2,3D2
InChIKey
PKDPUENCROCRCH-RRVWJQJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.12
TPSA
32.34
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.9
Consensus LogP
-0.65
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
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)
-3.9
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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![CAS 1398331-98-0 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1398331-98-0(2).gif)
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