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CAS 158602-35-8 Ethyl 1-(tert-Butoxycarbonyl)-3-azetidineacetate molecular structure lightbox
CAS RN: 158602-35-8

Ethyl 1-(tert-Butoxycarbonyl)-3-azetidineacetate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260509 100g In stock Shanghai, Wuhan Inquiry
Batchno.20260528 10g In stock Shanghai Inquiry
Batchno.20260524 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260630 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260424 500g In stock Shanghai, Wuhan Inquiry
Batchno.20251028 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-066887
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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: 5g, 25g, 1g, 10g
  • Available purity: ≥97%
  • 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 158602-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

158602-35-8 / tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

Standard CAS: 158602-35-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
158602-35-8
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
HTYZZXUWPRCEIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
62.55
TPSA
55.84

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.92

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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