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CAS 62810-47-3 (4-Fluorophenyl)(3-hydroxyphenyl)methanone molecular structure lightbox
CAS RN: 62810-47-3

(4-Fluorophenyl)(3-hydroxyphenyl)methanone

  • Product code: SSC-172165
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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: 5g
  • 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 62810-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

62810-47-3 / (4-fluorophenyl)-(3-hydroxyphenyl)methanone

Standard CAS: 62810-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62810-47-3
Multi CAS
No
Molecular Formula
C13FH9O2
Molecular Weight
216.210000
Exact Mass
216.058658
InChI
InChI=1S/C13H9FO2/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,15H
InChIKey
AVTZOMBANNWKGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.94
TPSA
37.3

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.1
Consensus LogP
2.76
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.08

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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