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CAS 361979-30-8 2-AMINO-1-(4-BENZYL-PIPERAZIN-1-YL)-ETHANONE 2 HCL molecular structure lightbox
CAS RN: 361979-30-8

2-AMINO-1-(4-BENZYL-PIPERAZIN-1-YL)-ETHANONE 2 HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS361979-30-8
  • Purity/Analytical Methods: >99.0%
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361979-30-8 / 2-amino-1-(4-benzylpiperazin-1-yl)ethanone

Standard CAS: 361979-30-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
361979-30-8
Multi CAS
Yes
Molecular Formula
C13H19N3O
Molecular Weight
233.310000
Exact Mass
233.152812
InChI
InChI=1S/C13H19N3O.2ClH/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;;/h1-5H,6-11,14H2;2*1H
InChIKey
CGGOSPOYCXTPIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.35
TPSA
49.57

LogP / Solubility

WLOGP
0.29
MLOGP
0.26
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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