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CAS 2090335-53-6 tert-butyl 3-(hydroxymethyl)-2-methylazetidine-1-carboxylate molecular structure lightbox
CAS RN: 2090335-53-6

tert-butyl 3-(hydroxymethyl)-2-methylazetidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-098493
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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: 0.25g
  • 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 2090335-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2090335-53-6 / tert-butyl 3-(hydroxymethyl)-2-methylazetidine-1-carboxylate

Standard CAS: 2090335-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2090335-53-6
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC1C(CN1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C10H19NO3/c1-7-8(6-12)5-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKey
GCKYULDQJWNXBA-UHFFFAOYSA-N

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
2.5

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