CAS RN: 164784-87-6
1-Piperazineaceticacid,2-oxo-,ethylester(9CI)
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.20260610 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS164784-87-6
- Purity/Analytical Methods: >99.0%
164784-87-6 / ethyl 2-(2-oxopiperazin-1-yl)acetate
Basic Information
CAS
164784-87-6
Multi CAS
No
Molecular Formula
C8H14N2O3
Molecular Weight
186.210000
Exact Mass
186.100442
SMILES
CCOC(=O)CN1CCNCC1=O
InChI
InChI=1S/C8H14N2O3/c1-2-13-8(12)6-10-4-3-9-5-7(10)11/h9H,2-6H2,1H3
InChIKey
GGTJQJVNFTWWRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.08
TPSA
58.64
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.9
XLogP3
-0.6
Consensus LogP
-0.84
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58
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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