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CAS 216159-03-4 4-Bromo-2-fluorobenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 216159-03-4

4-Bromo-2-fluorobenzenesulfonyl Chloride

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100g In stock Inquiry
Batchno.20260628 10g Out of stock Inquiry
Batchno.20250509 1g In stock Inquiry
Batchno.20260629 25g In stock Inquiry
Batchno.20260209 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100g In stock Shanghai Inquiry
Batchno.20260517 10g In stock Shanghai Inquiry
Batchno.20260201 1g In stock Shanghai Inquiry
Batchno.20251016 25g In stock Shanghai Inquiry
Batchno.20260121 5g In stock Shanghai Inquiry
  • Product code: SSC-103589
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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: 100g
  • 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 216159-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

216159-03-4 / 4-bromo-2-fluorobenzenesulfonyl chloride

Standard CAS: 216159-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216159-03-4
Multi CAS
No
Molecular Formula
C6H3BrClFO2S
Molecular Weight
273.510000
Exact Mass
271.870970
SMILES
C1=CC(=C(C=C1Br)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrClFO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H
InChIKey
XNYBZLRIUHNRQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.14
TPSA
34.14

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.6

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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