CAS RN: 91406-27-8
Piperazine, 1-(hydroxyacetyl)-4-methyl- (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.20251204 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91406-27-8
- Purity/Analytical Methods: >99.0%
91406-27-8 / 2-hydroxy-1-(4-methylpiperazin-1-yl)ethanone
Basic Information
CAS
91406-27-8
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
InChI
InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)7(11)6-10/h10H,2-6H2,1H3
InChIKey
NXJMRIAKANWEQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.16
TPSA
43.78
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.1
XLogP3
-1.1
Consensus LogP
-1.15
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
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)
-4.57
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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