CAS RN: 19943-16-9
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251206 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251006 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250218 | 250mg | In stock | Shanghai, Hebei | Inquiry |
- Product code: LINS891485
19943-16-9 / (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione
Basic Information
CAS
19943-16-9
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)C(C)C
InChI
InChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)/t7-,8-/m0/s1
InChIKey
QGMAWEIDGADSAC-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.54
TPSA
58.2
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
1.4
Consensus LogP
0.64
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 714272-27-2 (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/22793500.png)
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