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CAS 1154760-04-9 tert-butyl 3-hydroxy-3-(2-hydroxyethyl)azetidine-1-carboxylate molecular structure lightbox
CAS RN: 1154760-04-9

tert-butyl 3-hydroxy-3-(2-hydroxyethyl)azetidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-015244
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • 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 1154760-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

1154760-04-9 / tert-butyl 3-hydroxy-3-(2-hydroxyethyl)azetidine-1-carboxylate

tert-butyl 3-hydroxy-3-(2-hydroxyethyl)azetidine-1-carboxylate | MFCD24465664 | 1-Azetidinecarboxylic acid, 3-hydroxy-3-(2-hydroxyethyl)-, 1,1-dimethylethyl ester

Standard CAS: 1154760-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1154760-04-9
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CCO)O
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-6-10(14,7-11)4-5-12/h12,14H,4-7H2,1-3H3
InChIKey
CZXWJPSHKCBMTP-UHFFFAOYSA-N
Synonyms
tert-butyl 3-hydroxy-3-(2-hydroxyethyl)azetidine-1-carboxylate MFCD24465664 1-Azetidinecarboxylic acid, 3-hydroxy-3-(2-hydroxyethyl)-, 1,1-dimethylethyl ester 1-Boc-3-hydroxy-3-(2-hydroxyethyl)azetidine SCHEMBL571327

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.46
TPSA
70

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.3
Consensus LogP
0.32
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.8

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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