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CAS 1104083-23-9 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1104083-23-9

3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250112 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250504 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250401 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250623 25g In stock Shanghai Inquiry
Batchno.20250527 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 1g / 5g / 10g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-011494
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1104083-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1104083-23-9 / tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate

tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate | DTXSID50716462 | RefChem:383400

Standard CAS: 1104083-23-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1104083-23-9
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3
InChIKey
DBJZEDYSQQXOOF-UHFFFAOYSA-N
Synonyms
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate DTXSID50716462 RefChem:383400 DTXCID50667208 842-428-8

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.43
TPSA
49.77

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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