CAS RN: 1152112-99-6
(3s,5s)-3,5-dimethylpiperazin-2-one
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251207 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260513 | 1g | Out of stock | Inquiry | ||
| Batchno.20251025 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251124 | 50mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260107 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1152112-99-6
- Purity/Analytical Methods: >99.0%
1152112-99-6 / (3S,5S)-3,5-dimethylpiperazin-2-one
(3R,5S)-3,5-DIMETHYLPIPERAZIN-2-ONE | (3S,5R)-3,5-DIMETHYLPIPERAZIN-2-ONE | 3,5-dimethylpiperazin-2-one
Basic Information
CAS
1152112-99-6
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
C[C@H]1CNC(=O)[C@@H](N1)C
InChI
InChI=1S/C6H12N2O/c1-4-3-7-6(9)5(2)8-4/h4-5,8H,3H2,1-2H3,(H,7,9)/t4-,5-/m0/s1
InChIKey
URZBIOXYNMRLJS-WHFBIAKZSA-N
Synonyms
(3R,5S)-3,5-DIMETHYLPIPERAZIN-2-ONE
(3S,5R)-3,5-DIMETHYLPIPERAZIN-2-ONE
3,5-dimethylpiperazin-2-one
SCHEMBL2908867
AB72313
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.07
TPSA
41.13
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.46
XLogP3
-0.2
Consensus LogP
-0.39
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
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)
-3.87
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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