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CAS 125662-60-4 4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid molecular structure lightbox
CAS RN: 125662-60-4

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid

  • Product code: SSC-030563
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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: 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 125662-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

125662-60-4 / 2,3,5,6-tetrafluoro-4-sulfobenzoic acid

Standard CAS: 125662-60-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125662-60-4
Multi CAS
No
Molecular Formula
C7H2F4O5S
Molecular Weight
274.150000
Exact Mass
273.955907
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
InChI
InChI=1S/C7H2F4O5S/c8-2-1(7(12)13)3(9)5(11)6(4(2)10)17(14,15)16/h(H,12,13)(H,14,15,16)
InChIKey
JNESNWCWZVATQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.05
TPSA
91.67

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.6
Consensus LogP
0.95
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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