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CAS 20542-08-9 1-Piperazineethanol,4-(2-aminoethyl)-(7CI,8CI,9CI) molecular structure lightbox
CAS RN: 20542-08-9

1-Piperazineethanol,4-(2-aminoethyl)-(7CI,8CI,9CI)

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260501 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260308 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260614 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250812 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS20542-08-9
  • Purity/Analytical Methods: >99.0%
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20542-08-9 / 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol

Standard CAS: 20542-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20542-08-9
Multi CAS
No
Molecular Formula
C8H19N3O
Molecular Weight
173.260000
Exact Mass
173.152812
SMILES
C1CN(CCN1CCN)CCO
InChI
InChI=1S/C8H19N3O/c9-1-2-10-3-5-11(6-4-10)7-8-12/h12H,1-9H2
InChIKey
YISZZNVEUSLMJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.02
TPSA
52.73

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.27
XLogP3
-1.5
Consensus LogP
-1.4
Log S (ESOL)
0.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.8

Drug-likeness / Medicinal Chemistry

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

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