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CAS 116748-66-4 4′-FLUORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 116748-66-4

4′-FLUORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 1g In stock Inquiry
Batchno.20250113 250mg In stock Inquiry
Batchno.20260613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016679
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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 116748-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

116748-66-4 / 4-(4-fluorophenyl)benzenesulfonyl chloride

4'-Fluorobiphenyl-4-sulfonyl chloride | DTXSID50383375 | RefChem:283431

Standard CAS: 116748-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116748-66-4
Multi CAS
No
Molecular Formula
C12H8ClFO2S
Molecular Weight
270.710000
Exact Mass
269.991757
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H
InChIKey
CIDMHDJTWVMBIF-UHFFFAOYSA-N
Synonyms
4'-Fluorobiphenyl-4-sulfonyl chloride DTXSID50383375 RefChem:283431 DTXCID20334399 673-507-3

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.87
TPSA
34.14

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.7
Consensus LogP
3.38
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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