CAS RN: 565165-44-8
1-(4-ACETYL-PIPERAZIN-1-YL)-2-CHLORO-ETHANONE
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.20260604 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS565165-44-8
- Purity/Analytical Methods: >99.0%
565165-44-8 / 1-(4-acetylpiperazin-1-yl)-2-chloroethanone
Basic Information
CAS
565165-44-8
Multi CAS
No
Molecular Formula
C8H13CLN2O2
Molecular Weight
204.650000
Exact Mass
204.066555
InChI
InChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
InChIKey
MPFZOVHTXAHCRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.55
TPSA
40.62
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.4
Consensus LogP
-0.18
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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