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CAS 176371-67-8 1-Piperazineacetic acid, 2-oxo-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 176371-67-8

1-Piperazineacetic acid, 2-oxo-, 1,1-dimethylethyl ester

  • Product code: SSC-077249
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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 176371-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

176371-67-8 / tert-butyl 2-(2-oxopiperazin-1-yl)acetate

Standard CAS: 176371-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176371-67-8
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)CN1CCNCC1=O
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)7-12-5-4-11-6-8(12)13/h11H,4-7H2,1-3H3
InChIKey
GCQGGODJFXCQIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.29
TPSA
58.64

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
Consensus LogP
-0.15
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-4.2

Drug-likeness / Medicinal Chemistry

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

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