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CAS 5521-39-1 2-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-ol molecular structure lightbox
CAS RN: 5521-39-1

2-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-ol

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250421 100mg In stock Shanghai Inquiry
Batchno.20260206 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251008 1g Out of stock Inquiry
Batchno.20251207 250mg Out of stock Inquiry
Batchno.20250607 5g In stock Tianjin Inquiry
  • Product code: SSC-163046
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5521-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

5521-39-1 / 2-[4-(4-aminophenyl)piperazin-1-yl]ethanol

Standard CAS: 5521-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5521-39-1
Multi CAS
Yes
Molecular Formula
C12H19N3O
Molecular Weight
221.300000
Exact Mass
221.152812
InChI
InChI=1S/C12H19N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
InChIKey
HCDBHFCQLBZAAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.59
TPSA
52.73

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.65
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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