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CAS 219725-67-4 TERT-BUTYL 4-(AZETIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 219725-67-4

TERT-BUTYL 4-(AZETIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 100mg In stock Shanghai Inquiry
Batchno.20260228 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251230 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250402 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250704 25g In stock Shanghai Inquiry
Batchno.20260317 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-105678
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 219725-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry

219725-67-4 / tert-butyl 4-(azetidin-3-yl)piperazine-1-carboxylate

Standard CAS: 219725-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219725-67-4
Multi CAS
No
Molecular Formula
C12H23N3O2
Molecular Weight
241.330000
Exact Mass
241.179027
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2CNC2
InChI
InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-6-4-14(5-7-15)10-8-13-9-10/h10,13H,4-9H2,1-3H3
InChIKey
FWKMGWWNAQGBFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.04
TPSA
44.81

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.3
Consensus LogP
0.42
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.83

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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