CAS RN: 388121-83-3
Piperazine, 1-(3-butynyl)-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.20250818 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS388121-83-3
- Purity/Analytical Methods: >99.0%
388121-83-3 / 1-but-3-ynyl-4-methylpiperazine
Basic Information
CAS
388121-83-3
Multi CAS
No
Molecular Formula
C9H16N2
Molecular Weight
152.240000
Exact Mass
152.131349
InChI
InChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3
InChIKey
GZBWIJDICIGGKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.39
TPSA
6.48
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
0.7
Consensus LogP
0.39
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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