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CAS 25629-32-7 (3-OXO-1-PIPERAZINYL)ACETIC ACID molecular structure lightbox
CAS RN: 25629-32-7

(3-OXO-1-PIPERAZINYL)ACETIC ACID

  • Product code: SSC-121772
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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 25629-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

25629-32-7 / 2-(3-oxopiperazin-1-yl)acetic acid

Standard CAS: 25629-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25629-32-7
Multi CAS
No
Molecular Formula
C6H10N2O3
Molecular Weight
158.160000
Exact Mass
158.069142
SMILES
C1CN(CC(=O)N1)CC(=O)O
InChI
InChI=1S/C6H10N2O3/c9-5-3-8(2-1-7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)
InChIKey
FDDVFMDIVCWGKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.09
TPSA
69.64

LogP / Solubility

WLOGP
-1.5
MLOGP
-1.32
XLogP3
-3.3
Consensus LogP
-2.04
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.31
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)
-4.75

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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