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CAS 505058-38-8 3,3’,4,4’,5,5’-Hexafluoro-1,1’-biphenyl molecular structure lightbox
CAS RN: 505058-38-8

3,3’,4,4’,5,5’-Hexafluoro-1,1’-biphenyl

  • Product code: SSC-157066
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 505058-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Shanghai Inquiry
0.1g ≥98% 0 Out of Stock Beijing Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry

505058-38-8 / 1,2,3-trifluoro-5-(3,4,5-trifluorophenyl)benzene

Standard CAS: 505058-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
505058-38-8
Multi CAS
No
Molecular Formula
C12F6H4
Molecular Weight
262.150000
Exact Mass
262.021719
InChI
InChI=1S/C12H4F6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
InChIKey
LQYRGPDYLITEHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
51.63
TPSA
0.0000

LogP / Solubility

WLOGP
4.19
MLOGP
3.69
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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