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CAS 54620-09-6 1,4-PHENYLENE-4,4′-BIS(2,6-DIPHENYL-4-PYRYLIUM TETRAFLUOROBORATE) molecular structure lightbox
CAS RN: 54620-09-6

1,4-PHENYLENE-4,4′-BIS(2,6-DIPHENYL-4-PYRYLIUM TETRAFLUOROBORATE)

  • Product code: SSC-162368
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 54620-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

54620-09-6 / 4-[4-(2,6-diphenylpyrylium-4-yl)phenyl]-2,6-diphenylpyrylium ditetrafluoroborate

Standard CAS: 54620-09-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54620-09-6
Multi CAS
No
Molecular Formula
B2C40F8H28O2
Molecular Weight
714.300000
Exact Mass
714.214766
InChI
InChI=1S/C40H28O2.2BF4/c1-5-13-31(14-6-1)37-25-35(26-38(41-37)32-15-7-2-8-16-32)29-21-23-30(24-22-29)36-27-39(33-17-9-3-10-18-33)42-40(28-36)34-19-11-4-12-20-34;2*2-1(3,4)5/h1-28H;;/q+2;2*-1
InChIKey
PTPSANLCOHJZAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
42
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
192.78
TPSA
22.6

LogP / Solubility

WLOGP
14.04
MLOGP
12.41
XLogP3
14.04
Consensus LogP
13.5
Log S (ESOL)
-13.31
Class (ESOL)
Insoluble
Log S (Ali)
-15.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.89

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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