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CAS 1138331-90-4 1-Boc-3-(1-hydroxyethyl)-azetidine molecular structure lightbox
CAS RN: 1138331-90-4

1-Boc-3-(1-hydroxyethyl)-azetidine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251207 100mg In stock Shanghai Inquiry
Batchno.20250528 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251002 1g In stock Shanghai Inquiry
Batchno.20251012 250mg In stock Shanghai Inquiry
  • Product code: SSC-013824
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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
  • Available purity: ＞97%
  • 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 1138331-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1138331-90-4 / tert-butyl 3-(1-hydroxyethyl)azetidine-1-carboxylate

tert-butyl 3-(1-hydroxyethyl)azetidine-1-carboxylate | 1-Boc-3-(1-hydroxyethyl)-azetidine | MFCD17015912

Standard CAS: 1138331-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138331-90-4
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C1CN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C10H19NO3/c1-7(12)8-5-11(6-8)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKey
FOEGASXWOTWMKN-UHFFFAOYSA-N
Synonyms
tert-butyl 3-(1-hydroxyethyl)azetidine-1-carboxylate 1-Boc-3-(1-hydroxyethyl)-azetidine MFCD17015912 1-Azetidinecarboxylic acid, 3-(1-hydroxyethyl)-, 1,1-dimethylethyl ester 1-Boc-3-(1-hydroxyethyl)azetidine

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.98
TPSA
49.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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