CAS RN: 1068149-98-3
(R)-1-Ethyl-5-methylpiperazin-2-one
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.20250504 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1068149-98-3
- Purity/Analytical Methods: >99.0%
1068149-98-3 / (5R)-1-ethyl-5-methylpiperazin-2-one
(R)-1-ethyl-5-methylpiperazin-2-one | (5R)-1-Ethyl-5-methylpiperazin-2-one | MFCD09878618
Basic Information
CAS
1068149-98-3
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
SMILES
CCN1C[C@H](NCC1=O)C
InChI
InChI=1S/C7H14N2O/c1-3-9-5-6(2)8-4-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
HKAYDMPIWDDERB-ZCFIWIBFSA-N
Synonyms
(R)-1-ethyl-5-methylpiperazin-2-one
(5R)-1-Ethyl-5-methylpiperazin-2-one
MFCD09878618
(5R)-1-Ethyl-5-methyl-2-piperazinone
SCHEMBL22137528
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.72
TPSA
32.34
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.14
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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