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CAS 366-68-7 1,2-BIS-(4-FLUOROPHENYL)ETHANONE molecular structure lightbox
CAS RN: 366-68-7

1,2-BIS-(4-FLUOROPHENYL)ETHANONE

  • Product code: SSC-143810
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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 366-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

366-68-7 / 1,2-bis(4-fluorophenyl)ethanone

Standard CAS: 366-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
366-68-7
Multi CAS
No
Molecular Formula
C14F2H10O
Molecular Weight
232.220000
Exact Mass
232.069971
InChI
InChI=1S/C14H10F2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKey
NXPJZQYAGOYGTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
60.83
TPSA
17.07

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.73

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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