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CAS 54090-08-3 2-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 54090-08-3

2-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250823 1g In stock Inquiry
Batchno.20260401 200mg Out of stock Inquiry
Batchno.20260317 25g Out of stock Inquiry
Batchno.20260224 5g In stock Inquiry
  • Product code: SSC-161630
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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: 25g
  • 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 54090-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

54090-08-3 / 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 54090-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54090-08-3
Multi CAS
No
Molecular Formula
C7H3CL2F3O2S
Molecular Weight
279.060000
Exact Mass
277.918290
InChI
InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey
ZEYKLMDPUOVUCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.49
TPSA
34.14

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
3.5
Consensus LogP
3.23
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.09

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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