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CAS 54504-51-7 1-acetyl-4-(2-chloroethyl)piperazine molecular structure lightbox
CAS RN: 54504-51-7

1-acetyl-4-(2-chloroethyl)piperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS54504-51-7
  • Purity/Analytical Methods: >99.0%
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54504-51-7 / 1-[4-(2-chloroethyl)piperazin-1-yl]ethanone

Standard CAS: 54504-51-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54504-51-7
Multi CAS
Yes
Molecular Formula
C8H15CLN2O
Molecular Weight
190.670000
Exact Mass
190.087291
InChI
InChI=1S/C8H15ClN2O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7H2,1H3
InChIKey
ZNHWTCMEXMUSHN-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
0.1
Consensus LogP
0.28
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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