CAS RN: 60121-78-0
piperazine, 1-(chloroacetyl)-4-(4-chlorophenyl)-
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.20250727 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60121-78-0
- Purity/Analytical Methods: >99.0%
60121-78-0 / 2-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
Basic Information
CAS
60121-78-0
Multi CAS
No
Molecular Formula
C12H14CL2N2O
Molecular Weight
273.150000
Exact Mass
272.048319
InChI
InChI=1S/C12H14Cl2N2O/c13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11/h1-4H,5-9H2
InChIKey
JBSAVIITEALCKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
70.97
TPSA
23.55
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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