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CAS 15485-70-8 2-(4-Fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone molecular structure lightbox
CAS RN: 15485-70-8

2-(4-Fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone

  • Product code: SSC-064190
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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 15485-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

15485-70-8 / 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone

Standard CAS: 15485-70-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15485-70-8
Multi CAS
No
Molecular Formula
C14H11FO3
Molecular Weight
246.230000
Exact Mass
246.069222
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)F
InChI
InChI=1S/C14H11FO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2
InChIKey
CXBCJNQNUZOTQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.21
TPSA
57.53

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
3.1
Consensus LogP
2.7
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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