CAS RN: 884497-54-5
1-(3-METHYLBUTANOYL)PIPERAZINE
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.20250308 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS884497-54-5
- Purity/Analytical Methods: >99.0%
884497-54-5 / 3-methyl-1-piperazin-1-ylbutan-1-one
Basic Information
CAS
884497-54-5
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
InChI
InChI=1S/C9H18N2O/c1-8(2)7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKey
OHUHHACSCXRQJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.9
TPSA
32.34
LogP / Solubility
WLOGP
0.46
MLOGP
0.41
XLogP3
0.3
Consensus LogP
0.39
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.43
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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