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CAS 1015082-79-7 POTASSIUM 2-(2-HYDROXYETHYL)PHENYLTRIFLUOROBORATE molecular structure lightbox
CAS RN: 1015082-79-7

POTASSIUM 2-(2-HYDROXYETHYL)PHENYLTRIFLUOROBORATE

  • Product code: SSC-002343
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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
  • 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 1015082-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

1015082-79-7 / potassium trifluoro-[2-(2-hydroxyethyl)phenyl]boranuide

Borate(1-), trifluoro(2-(2-hydroxyethyl)phenyl)-, potassium (1:1), (T-4)- | Borate(1-), trifluoro[2-(2-hydroxyethyl)phenyl]-, potassium (1:1), (T-4)- | RefChem:330114

Standard CAS: 1015082-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1015082-79-7
Multi CAS
No
Molecular Formula
C8H9BF3KO
Molecular Weight
228.060000
Exact Mass
228.033561
SMILES
[B-](C1=CC=CC=C1CCO)(F)(F)F.[K+]
InChI
InChI=1S/C8H9BF3O.K/c10-9(11,12)8-4-2-1-3-7(8)5-6-13;/h1-4,13H,5-6H2;/q-1;+1
InChIKey
SEAORMUNGVKBQD-UHFFFAOYSA-N
Synonyms
Borate(1-), trifluoro(2-(2-hydroxyethyl)phenyl)-, potassium (1:1), (T-4)- Borate(1-), trifluoro[2-(2-hydroxyethyl)phenyl]-, potassium (1:1), (T-4)- RefChem:330114 Potassium 2-(2-hydroxyethyl)phenyltrifluoroborate Potassium trifluoro[2-(2-hydroxyethyl)phenyl]boranuide

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.94
TPSA
20.23

LogP / Solubility

WLOGP
-1.72
MLOGP
-1.51
XLogP3
-1.72
Consensus LogP
-1.65
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
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)
-5.33

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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