CAS RN: 15885-04-8
1-(4-methylpiperazin-1-yl)acetone
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.20250402 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS15885-04-8
- Purity/Analytical Methods: >99.0%
15885-04-8 / 1-(4-methylpiperazin-1-yl)propan-2-one
Basic Information
CAS
15885-04-8
Multi CAS
No
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
SMILES
CC(=O)CN1CCN(CC1)C
InChI
InChI=1S/C8H16N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h3-7H2,1-2H3
InChIKey
RJFFVAGYPXHKIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.62
TPSA
23.55
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.2
Consensus LogP
-0.18
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
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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