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CAS 217806-26-3 tert-Butyl (azetidin-3-yl)carbamate hydrochloride molecular structure lightbox
CAS RN: 217806-26-3

tert-Butyl (azetidin-3-yl)carbamate hydrochloride

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260228 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250525 1g In stock Shanghai Inquiry
Batchno.20250814 1kg Out of stock Inquiry
Batchno.20260221 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251120 500g In stock Shanghai Inquiry
Batchno.20250204 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-105130
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • 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 217806-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 3 In Stock Shanghai Inquiry

217806-26-3 / tert-butyl N-(azetidin-3-yl)carbamate;hydrochloride

Standard CAS: 217806-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217806-26-3
Multi CAS
No
Molecular Formula
C8H17ClN2O2
Molecular Weight
208.680000
Exact Mass
208.097856
SMILES
CC(C)(C)OC(=O)NC1CNC1.Cl
InChI
InChI=1S/C8H16N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-9-5-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H
InChIKey
VLOLOLUAVFGUTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.28
TPSA
50.36

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.35

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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