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CAS 648904-85-2 3-Fluoro-4-(Methylsulfonyl)phenylboronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 648904-85-2

3-Fluoro-4-(Methylsulfonyl)phenylboronic Acid Pinacol Ester

  • Product code: SSC-174560
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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, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 648904-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

648904-85-2 / 2-(3-fluoro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 648904-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
648904-85-2
Multi CAS
Yes
Molecular Formula
BC13FH18O4S
Molecular Weight
300.200000
Exact Mass
300.100289
InChI
InChI=1S/C13H18BFO4S/c1-12(2)13(3,4)19-14(18-12)9-6-7-11(10(15)8-9)20(5,16)17/h6-8H,1-5H3
InChIKey
VRFPWIWPAXETRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
75.23
TPSA
52.6

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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