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CAS 1374658-52-2 1-Boc-3-fluoroazetidine-3-carbaldehyde molecular structure lightbox
CAS RN: 1374658-52-2

1-Boc-3-fluoroazetidine-3-carbaldehyde

  • Product code: SSC-047073
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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
  • 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 1374658-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1374658-52-2 / tert-butyl 3-fluoro-3-formylazetidine-1-carboxylate

Standard CAS: 1374658-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374658-52-2
Multi CAS
No
Molecular Formula
C9H14FNO3
Molecular Weight
203.210000
Exact Mass
203.095771
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C=O)F
InChI
InChI=1S/C9H14FNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h6H,4-5H2,1-3H3
InChIKey
ISYAISBXCKGQPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.71
TPSA
46.61

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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