CAS RN: 84725-48-4
1-Piperazineethanamine,-alpha-,-alpha-,4-trimethyl-(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.20250308 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84725-48-4
- Purity/Analytical Methods: >99.0%
84725-48-4 / 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
Basic Information
CAS
84725-48-4
Multi CAS
No
Molecular Formula
C9H21N3
Molecular Weight
171.280000
Exact Mass
171.173548
InChI
InChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3
InChIKey
GBADJQGJTQQHGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.2
TPSA
32.5
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.2
Consensus LogP
-0.09
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
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)
-3.79
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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