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CAS 1823-63-8 2,2,2-TRIFLUORO-1-(4-HYDROXY-PHENYL)-ETHANONE molecular structure lightbox
CAS RN: 1823-63-8

2,2,2-TRIFLUORO-1-(4-HYDROXY-PHENYL)-ETHANONE

  • Product code: SSC-083441
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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, 5g, 10g, 1g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1823-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry

1823-63-8 / 2,2,2-trifluoro-1-(4-hydroxyphenyl)ethanone

Standard CAS: 1823-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823-63-8
Multi CAS
No
Molecular Formula
C8H5F3O2
Molecular Weight
190.120000
Exact Mass
190.024164
SMILES
C1=CC(=CC=C1C(=O)C(F)(F)F)O
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,12H
InChIKey
IFNQIRKICGIWKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.49
TPSA
37.3

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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