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CAS 309977-81-9 Methyl 1-Boc-2-Methylazetidine-2-carboxylate molecular structure lightbox
CAS RN: 309977-81-9

Methyl 1-Boc-2-Methylazetidine-2-carboxylate

  • Product code: SSC-136202
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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: ≥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 309977-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

309977-81-9 / 1-O-tert-butyl 2-O-methyl (2S)-2-methylazetidine-1,2-dicarboxylate

Standard CAS: 309977-81-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
309977-81-9
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-7-6-11(12,4)8(13)15-5/h6-7H2,1-5H3
InChIKey
SXPBYQSHKGEXHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.98
TPSA
55.84

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.01

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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