CAS RN: 546116-23-8
Piperazine,1-(chloroacetyl)-4-ethyl-
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.20251027 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS546116-23-8
- Purity/Analytical Methods: >99.0%
546116-23-8 / 2-chloro-1-(4-ethylpiperazin-1-yl)ethanone
Basic Information
CAS
546116-23-8
Multi CAS
Yes
Molecular Formula
C8H15CLN2O
Molecular Weight
190.670000
Exact Mass
190.087291
InChI
InChI=1S/C8H15ClN2O/c1-2-10-3-5-11(6-4-10)8(12)7-9/h2-7H2,1H3
InChIKey
VIUGYNBSZBWEGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.41
TPSA
23.55
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.61
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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