CAS RN: 253175-46-1
Piperazine, 1-(3,3-dimethyl-1-oxobutyl)- (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.20260113 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS253175-46-1
- Purity/Analytical Methods: >99.0%
253175-46-1 / 3,3-dimethyl-1-piperazin-1-ylbutan-1-one
Basic Information
CAS
253175-46-1
Multi CAS
No
Molecular Formula
C10H20N2O
Molecular Weight
184.280000
Exact Mass
184.157563
SMILES
CC(C)(C)CC(=O)N1CCNCC1
InChI
InChI=1S/C10H20N2O/c1-10(2,3)8-9(13)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKey
AXTVUKIOKILONV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.52
TPSA
32.34
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.77
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.24
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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