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CAS 85068-30-0 2′,4′-Difluoropropiophenone molecular structure lightbox
CAS RN: 85068-30-0

2′,4′-Difluoropropiophenone

  • Product code: SSC-193082
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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: 25g
  • Available purity: ≥98%
  • 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 85068-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

85068-30-0 / 1-(2,4-difluorophenyl)propan-1-one

Standard CAS: 85068-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85068-30-0
Multi CAS
Yes
Molecular Formula
C9F2H8O
Molecular Weight
170.160000
Exact Mass
170.054321
InChI
InChI=1S/C9H8F2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChIKey
UZWOADNMVRRYDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.98
TPSA
17.07

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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