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CAS 1384951-71-6 2-(2-fluoro-4-(Methylsulfonyl)phenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1384951-71-6

2-(2-fluoro-4-(Methylsulfonyl)phenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

  • Product code: SSC-048493
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1384951-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

1384951-71-6 / 2-(2-fluoro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1384951-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384951-71-6
Multi CAS
No
Molecular Formula
C13H18BFO4S
Molecular Weight
300.200000
Exact Mass
300.100289
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)C)F
InChI
InChI=1S/C13H18BFO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-9(8-11(10)15)20(5,16)17/h6-8H,1-5H3
InChIKey
NCPFIZKMEKKGMJ-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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