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CAS 234108-58-8 tert-butyl 4-(2-aMinoethyl)-3-oxopiperazine-1-carboxylate molecular structure lightbox
CAS RN: 234108-58-8

tert-butyl 4-(2-aMinoethyl)-3-oxopiperazine-1-carboxylate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250512 100mg Out of stock Inquiry
Batchno.20260423 1g Out of stock Inquiry
Batchno.20260227 250mg Out of stock Inquiry
  • Product code: SSC-113167
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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 234108-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

234108-58-8 / tert-butyl 4-(2-aminoethyl)-3-oxopiperazine-1-carboxylate

Standard CAS: 234108-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234108-58-8
Multi CAS
No
Molecular Formula
C11H21N3O3
Molecular Weight
243.300000
Exact Mass
243.158292
SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCN
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-7-6-13(5-4-12)9(15)8-14/h4-8,12H2,1-3H3
InChIKey
MCRRSQHTAKWRQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.44
TPSA
75.87

LogP / Solubility

WLOGP
0.02
MLOGP
0.03
XLogP3
-0.5
Consensus LogP
-0.15
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-4.19

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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