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CAS 53871-08-2 tert-Butyl azetidine-3-carboxylate HCl molecular structure lightbox
CAS RN: 53871-08-2

tert-Butyl azetidine-3-carboxylate HCl

  • Product code: SSC-161269
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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: 0.25g, 0.1g, 1g, 5g, 10g, 25g
  • Available purity: ≥97%, ≥95%
  • Inventory rows with stock: 3
  • 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 53871-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

53871-08-2 / tert-butyl azetidine-3-carboxylate;hydrochloride

Standard CAS: 53871-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53871-08-2
Multi CAS
No
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-9-5-6;/h6,9H,4-5H2,1-3H3;1H
InChIKey
JROLDIFBZMRPMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.45
TPSA
38.33

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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