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CAS 1363382-00-6 Methyl 1-Boc-3-fluoroazetidine-3-carboxylate molecular structure lightbox
CAS RN: 1363382-00-6

Methyl 1-Boc-3-fluoroazetidine-3-carboxylate

  • Product code: SSC-045353
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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 1363382-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1363382-00-6 / 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate

Standard CAS: 1363382-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363382-00-6
Multi CAS
No
Molecular Formula
C10H16FNO4
Molecular Weight
233.240000
Exact Mass
233.106336
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)OC)F
InChI
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6H2,1-4H3
InChIKey
NBYZMANWZNNZDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.66
TPSA
55.84

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.35

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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