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CAS 368441-98-9 2-Piperazineaceticacid,methylester(9CI) molecular structure lightbox
CAS RN: 368441-98-9

2-Piperazineaceticacid,methylester(9CI)

  • Product code: SSC-144098
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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: ≥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 368441-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

368441-98-9 / methyl 2-piperazin-2-ylacetate

Standard CAS: 368441-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368441-98-9
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
InChI
InChI=1S/C7H14N2O2/c1-11-7(10)4-6-5-8-2-3-9-6/h6,8-9H,2-5H2,1H3
InChIKey
LFEGEWHLBLLABZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.29
TPSA
50.36

LogP / Solubility

WLOGP
-0.89
MLOGP
-0.79
XLogP3
-1
Consensus LogP
-0.89
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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