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CAS 66482-51-7 sulfonium (4-methylphenyl)diphenyl hexafluorophosphate molecular structure lightbox
CAS RN: 66482-51-7

sulfonium (4-methylphenyl)diphenyl hexafluorophosphate

  • Product code: SSC-176170
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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: 1g
  • Available purity: ≥95%
  • 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 66482-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

66482-51-7 / (4-methylphenyl)-diphenylsulfanium hexafluorophosphate

Standard CAS: 66482-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66482-51-7
Multi CAS
No
Molecular Formula
C19F6H17PS
Molecular Weight
422.400000
Exact Mass
422.069278
InChI
InChI=1S/C19H17S.F6P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-7(2,3,4,5)6/h2-15H,1H3;/q+1;-1
InChIKey
OODFCBQUNQGYSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
99.79
TPSA
1.0000

LogP / Solubility

WLOGP
8.47
MLOGP
7.48
XLogP3
8.47
Consensus LogP
8.14
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-9.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.8
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)
0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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