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CAS 221908-17-4 Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate molecular structure lightbox
CAS RN: 221908-17-4

Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate

  • Product code: SSC-106720
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 221908-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry

221908-17-4 / sodium 2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate

Standard CAS: 221908-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221908-17-4
Multi CAS
No
Molecular Formula
C6HF4NaO4S
Molecular Weight
268.120000
Exact Mass
267.942937
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)O.[Na+]
InChI
InChI=1S/C6H2F4O4S.Na/c7-1-3(9)6(15(12,13)14)4(10)2(8)5(1)11;/h11H,(H,12,13,14);/q;+1/p-1
InChIKey
HVXPVJLSYQBYCR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.9
TPSA
77.43

LogP / Solubility

WLOGP
-2.14
MLOGP
-1.88
XLogP3
-2.14
Consensus LogP
-2.05
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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