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CAS 957060-85-4 2-Fluoro-4-methylsulfonylphenylboronic acid molecular structure lightbox
CAS RN: 957060-85-4

2-Fluoro-4-methylsulfonylphenylboronic acid

  • Product code: SSC-211290
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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: 0.25g, 0.1g, 1g, 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 957060-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

957060-85-4 / (2-fluoro-4-methylsulfonylphenyl)boronic acid

Standard CAS: 957060-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957060-85-4
Multi CAS
No
Molecular Formula
BC7FH8O4S
Molecular Weight
218.020000
Exact Mass
218.022038
InChI
InChI=1S/C7H8BFO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKey
VTSHDQJNJIIHGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.34
TPSA
74.6

LogP / Solubility

WLOGP
-1.09
MLOGP
-0.96
XLogP3
-1.09
Consensus LogP
-1.05
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.82

Drug-likeness / Medicinal Chemistry

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

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