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CAS 617718-45-3 1-Benzhydryl-3-fluoroazetidine molecular structure lightbox
CAS RN: 617718-45-3

1-Benzhydryl-3-fluoroazetidine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250907 1g In stock Inquiry
Batchno.20250504 250mg In stock Inquiry
Batchno.20251014 25g Out of stock Inquiry
Batchno.20251117 5g In stock Inquiry
  • Product code: SSC-170710
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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, 5g
  • Available purity: ＞97%
  • 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 617718-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

617718-45-3 / 1-benzhydryl-3-fluoroazetidine

Standard CAS: 617718-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
617718-45-3
Multi CAS
No
Molecular Formula
C16FH16N
Molecular Weight
241.300000
Exact Mass
241.126678
InChI
InChI=1S/C16H16FN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
ZYKWABRWFBVPIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
71.2
TPSA
3.24

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

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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