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CAS 898228-37-0 Methyl 1-Boc-3-methylazetidine-3-carboxylate molecular structure lightbox
CAS RN: 898228-37-0

Methyl 1-Boc-3-methylazetidine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-201901
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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: 0.1g, 0.25g, 1g, 5g
  • 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 898228-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

898228-37-0 / 1-O-tert-butyl 3-O-methyl 3-methylazetidine-1,3-dicarboxylate

Standard CAS: 898228-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898228-37-0
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(4,7-12)8(13)15-5/h6-7H2,1-5H3
InChIKey
PRWCITKRUVKOEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.93
TPSA
55.84

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.1
Consensus LogP
1.26
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.11

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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