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CAS 442126-36-5 4-(2-AMino-ethoxy)-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 442126-36-5

4-(2-AMino-ethoxy)-piperidine-1-carboxylic acid tert-butyl ester

  • Product code: SSC-152201
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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: 0.05g, 0.1g, 0.25g, 1g, 5g
  • 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 442126-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

442126-36-5 / tert-butyl 4-(2-aminoethoxy)piperidine-1-carboxylate

Standard CAS: 442126-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
442126-36-5
Multi CAS
No
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-4-10(5-8-14)16-9-6-13/h10H,4-9,13H2,1-3H3
InChIKey
HWYXXBGXZMDWCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.84
TPSA
64.79

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.6
Consensus LogP
1.05
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.24

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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