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CAS 267668-44-0 Methanone, 1,1′,1”-(1,3,5-benzenetriyl)tris[1-(4-fluorophenyl)- molecular structure lightbox
CAS RN: 267668-44-0

Methanone, 1,1′,1”-(1,3,5-benzenetriyl)tris[1-(4-fluorophenyl)-

  • Product code: SSC-124920
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 267668-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

267668-44-0 / [3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone

Standard CAS: 267668-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
267668-44-0
Multi CAS
No
Molecular Formula
C27H15F3O3
Molecular Weight
444.400000
Exact Mass
444.097329
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C27H15F3O3/c28-22-7-1-16(2-8-22)25(31)19-13-20(26(32)17-3-9-23(29)10-4-17)15-21(14-19)27(33)18-5-11-24(30)12-6-18/h1-15H
InChIKey
DNLRPRKUMOVZJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
115.94
TPSA
51.21

LogP / Solubility

WLOGP
5.8
MLOGP
5.13
XLogP3
6.3
Consensus LogP
5.74
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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