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CAS 40340-73-6 1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE HCL molecular structure lightbox
CAS RN: 40340-73-6

1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS40340-73-6
  • Purity/Analytical Methods: >99.0%
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40340-73-6 / 2-chloro-1-(4-methylpiperazin-1-yl)ethanone

Standard CAS: 40340-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40340-73-6
Multi CAS
Yes
Molecular Formula
C7H13CLN2O
Molecular Weight
176.640000
Exact Mass
176.071641
InChI
InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
InChIKey
OTHMDVZIZBUTIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.8
TPSA
23.55

LogP / Solubility

XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.8

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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