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CAS 935534-33-1 4-Bromo-3-fluorobenzenesulfonylfluoride molecular structure lightbox
CAS RN: 935534-33-1

4-Bromo-3-fluorobenzenesulfonylfluoride

  • Product code: SSC-207831
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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 935534-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

935534-33-1 / 4-bromo-3-fluorobenzenesulfonyl fluoride

Standard CAS: 935534-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
935534-33-1
Multi CAS
No
Molecular Formula
BC6H3O2Rf2S
Molecular Weight
257.050000
Exact Mass
255.900520
InChI
InChI=1S/C6H3BrF2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey
FAYULLWUAYDEFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.39
TPSA
34.14

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.5
Consensus LogP
2.24
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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