CAS RN: 205993-34-6
Piperazinone, 6-(hydroxymethyl)-, (6S)- (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.20250823 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205993-34-6
- Purity/Analytical Methods: >99.0%
205993-34-6 / (6S)-6-(hydroxymethyl)piperazin-2-one
Basic Information
CAS
205993-34-6
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
C1[C@H](NC(=O)CN1)CO
InChI
InChI=1S/C5H10N2O2/c8-3-4-1-6-2-5(9)7-4/h4,6,8H,1-3H2,(H,7,9)/t4-/m0/s1
InChIKey
AOUYCCFUYHPVGG-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.89
TPSA
61.36
LogP / Solubility
WLOGP
-1.93
MLOGP
-1.71
XLogP3
-1.7
Consensus LogP
-1.78
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.98
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)
-4.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
