CAS RN: 1922857-21-3
5-Oxopiperazine-2-carboxylic acid hydrochloride
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.20251222 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1922857-21-3
- Purity/Analytical Methods: >99.0%
1922857-21-3 / 5-oxopiperazine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1922857-21-3
Multi CAS
No
Molecular Formula
C5H9ClN2O3
Molecular Weight
180.590000
Exact Mass
180.030170
SMILES
C1C(NCC(=O)N1)C(=O)O.Cl
InChI
InChI=1S/C5H8N2O3.ClH/c8-4-2-6-3(1-7-4)5(9)10;/h3,6H,1-2H2,(H,7,8)(H,9,10);1H
InChIKey
XDOSJCFGYLXAHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.68
TPSA
78.43
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.25
XLogP3
-1.42
Consensus LogP
-1.36
Class (ESOL)
Highly soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.22
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)
-4.83
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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