CAS RN: 126330-91-4
2-Piperazinecarboxylicacid,6-oxo-,methylester,(2R)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250929 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-033438
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
126330-91-4 / methyl (2R)-6-oxopiperazine-2-carboxylate
Basic Information
CAS
126330-91-4
Multi CAS
No
Molecular Formula
C6H10N2O3
Molecular Weight
158.160000
Exact Mass
158.069142
SMILES
COC(=O)[C@H]1CNCC(=O)N1
InChI
InChI=1S/C6H10N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKey
YPHRCQHMSQLRIC-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.82
TPSA
67.43
LogP / Solubility
WLOGP
-1.75
MLOGP
-1.55
XLogP3
-1.1
Consensus LogP
-1.47
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.65
Class (SILICOS-IT)
Highly 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)
-4.93
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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