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CAS 886536-37-4 4-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 886536-37-4

4-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID

  • Product code: SSC-200096
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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: 1g, 0.25g, 5g, 10g
  • 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 886536-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

886536-37-4 / [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Standard CAS: 886536-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886536-37-4
Multi CAS
Yes
Molecular Formula
BC8F3H8O3
Molecular Weight
219.960000
Exact Mass
220.051859
InChI
InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2
InChIKey
DWRAMTYYMNLVBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.82
TPSA
49.69

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.31
Consensus LogP
0.3
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.84

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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