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CAS 1314923-32-4 3-Fluoro-3-methyl-azetidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1314923-32-4

3-Fluoro-3-methyl-azetidine-1-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-038540
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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 1314923-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1314923-32-4 / tert-butyl 3-fluoro-3-methylazetidine-1-carboxylate

Standard CAS: 1314923-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314923-32-4
Multi CAS
No
Molecular Formula
C9H16FNO2
Molecular Weight
189.230000
Exact Mass
189.116507
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)F
InChI
InChI=1S/C9H16FNO2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6H2,1-4H3
InChIKey
AGXAHUBWNJNHPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.32
TPSA
29.54

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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