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CAS 228868-29-9 (S)-TERT-BUTYL 2-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 228868-29-9

(S)-TERT-BUTYL 2-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-111389
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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
  • Available purity: >95%
  • 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 228868-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g -- 0 Out of Stock Beijing Inquiry

228868-29-9 / tert-butyl (2S)-2-(2-hydroxyethyl)azetidine-1-carboxylate

Standard CAS: 228868-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228868-29-9
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1CCO
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
OOQJCNOHZAGBFN-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.05
TPSA
49.77

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.97

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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