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CAS 1374657-64-3 1-Boc-3-iodomethyl-3-fluoroazetidine molecular structure lightbox
CAS RN: 1374657-64-3

1-Boc-3-iodomethyl-3-fluoroazetidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-047071
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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 1374657-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1374657-64-3 / tert-butyl 3-fluoro-3-(iodomethyl)azetidine-1-carboxylate

Standard CAS: 1374657-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374657-64-3
Multi CAS
No
Molecular Formula
C9H15FINO2
Molecular Weight
315.120000
Exact Mass
315.013150
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CI)F
InChI
InChI=1S/C9H15FINO2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h4-6H2,1-3H3
InChIKey
ZJDAPUKBGDZCHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.53
TPSA
29.54

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

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

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