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CAS 106245-03-8 1-(2-(benzyloxy)-4-fluorophenyl)ethanone molecular structure lightbox
CAS RN: 106245-03-8

1-(2-(benzyloxy)-4-fluorophenyl)ethanone

  • Product code: SSC-008005
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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 106245-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

106245-03-8 / 1-(4-fluoro-2-phenylmethoxyphenyl)ethanone

1-(2-(benzyloxy)-4-fluorophenyl)ethanone | 1-(4-fluoro-2-phenylmethoxyphenyl)ethanone | MFCD17625883

Standard CAS: 106245-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106245-03-8
Multi CAS
No
Molecular Formula
C15H13FO2
Molecular Weight
244.260000
Exact Mass
244.089958
SMILES
CC(=O)C1=C(C=C(C=C1)F)OCC2=CC=CC=C2
InChI
InChI=1S/C15H13FO2/c1-11(17)14-8-7-13(16)9-15(14)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
VUAZCYADAXHDKI-UHFFFAOYSA-N
Synonyms
1-(2-(benzyloxy)-4-fluorophenyl)ethanone 1-(4-fluoro-2-phenylmethoxyphenyl)ethanone MFCD17625883 1-[2-(Benzyloxy)-4-fluorophenyl]ethan-1-one 1-[2-(benzyloxy)-4-fluorophenyl]ethanone

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
67.18
TPSA
26.3

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.2
Consensus LogP
3.33
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly 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)
-1.65

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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