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CAS 89630-28-4 2-Hydroxy-4’-(trifluoromethyl)acetophenone molecular structure lightbox
CAS RN: 89630-28-4

2-Hydroxy-4’-(trifluoromethyl)acetophenone

  • Product code: SSC-201655
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 89630-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89630-28-4 / 2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone

Standard CAS: 89630-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89630-28-4
Multi CAS
No
Molecular Formula
C9F3H7O2
Molecular Weight
204.150000
Exact Mass
204.039814
InChI
InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,13H,5H2
InChIKey
HVNDDPHQGGNGQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.86
TPSA
37.3

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
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)
-2.63

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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