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CAS 1824284-50-5 2-Hydroxy-3’-(trifluoromethoxy)acetophenone molecular structure lightbox
CAS RN: 1824284-50-5

2-Hydroxy-3’-(trifluoromethoxy)acetophenone

  • Product code: SSC-084311
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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, 5g, 0.25g, 0.1g
  • 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 1824284-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1824284-50-5 / 2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethanone

Standard CAS: 1824284-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824284-50-5
Multi CAS
No
Molecular Formula
C9H7F3O3
Molecular Weight
220.140000
Exact Mass
220.034729
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C(=O)CO
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-2-6(4-7)8(14)5-13/h1-4,13H,5H2
InChIKey
QCIUJSXJSYGJMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.54
TPSA
46.53

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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