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CAS 1589565-36-5 tert-butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1589565-36-5

tert-butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-067102
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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, 5g, 1g, 0.25g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1589565-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1589565-36-5 / tert-butyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate

Standard CAS: 1589565-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1589565-36-5
Multi CAS
No
Molecular Formula
C11H19N3O2
Molecular Weight
225.290000
Exact Mass
225.147727
SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1CC#N
InChI
InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-7-6-13-8-9(14)4-5-12/h9,13H,4,6-8H2,1-3H3/t9-/m0/s1
InChIKey
BTWCKQOWWVNXTC-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.83
TPSA
65.36

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.2
Consensus LogP
0.76
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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