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CAS 42771-79-9 4-Acetyl-2-fluorobiphenyl molecular structure lightbox
CAS RN: 42771-79-9

4-Acetyl-2-fluorobiphenyl

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 25mg / 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100mg Out of stock Inquiry
Batchno.20260404 250mg Out of stock Inquiry
  • Product code: SSC-151036
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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: 0.1g
  • Available purity: ＞97%
  • 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 42771-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry

42771-79-9 / 1-(3-fluoro-4-phenylphenyl)ethanone

Standard CAS: 42771-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42771-79-9
Multi CAS
No
Molecular Formula
C14FH11O
Molecular Weight
214.230000
Exact Mass
214.079393
InChI
InChI=1S/C14H11FO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
ZLKQQDFLPVWFDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.84
TPSA
17.07

LogP / Solubility

WLOGP
3.7
MLOGP
3.25
XLogP3
3.3
Consensus LogP
3.42
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.4

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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