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CAS 402-57-3 Benzeneacetic acid,4-(fluorosulfonyl)- molecular structure lightbox
CAS RN: 402-57-3

Benzeneacetic acid,4-(fluorosulfonyl)-

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 100mg In stock Shanghai Inquiry
Batchno.20251010 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250317 1g In stock Shanghai Inquiry
Batchno.20251101 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-148268
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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: 0.1g, 0.25g, 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 402-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

402-57-3 / 2-(4-fluorosulfonylphenyl)acetic acid

Standard CAS: 402-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
402-57-3
Multi CAS
No
Molecular Formula
C8FH7O4S
Molecular Weight
218.200000
Exact Mass
218.004908
InChI
InChI=1S/C8H7FO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
VARMWPGASRMINF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.08
TPSA
71.44

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
1.9
Consensus LogP
1.24
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-3.36

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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