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CAS 37478-58-3 2-(PIPERAZIN-1-YL)-ACETIC ACID H2O molecular structure lightbox
CAS RN: 37478-58-3

2-(PIPERAZIN-1-YL)-ACETIC ACID H2O

  • Product code: SSC-144818
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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: 5g
  • Available purity: ≥95%
  • 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 37478-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

37478-58-3 / 2-piperazin-1-ylacetic acid

Standard CAS: 37478-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37478-58-3
Multi CAS
Yes
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
InChI
InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)
InChIKey
WRJZKSHNBALIGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.95
TPSA
52.57

LogP / Solubility

WLOGP
-1.02
MLOGP
-0.91
XLogP3
-3.1
Consensus LogP
-1.68
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly 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)
-4.33

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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