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CAS 57835-99-1 Triphenylsulfonium Hexafluorophosphate molecular structure lightbox
CAS RN: 57835-99-1

Triphenylsulfonium Hexafluorophosphate

  • Product code: SSC-166049
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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: 5g
  • 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 57835-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

57835-99-1 / triphenylsulfanium hexafluorophosphate

Standard CAS: 57835-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57835-99-1
Multi CAS
No
Molecular Formula
C18F6H15PS
Molecular Weight
408.300000
Exact Mass
408.053628
InChI
InChI=1S/C18H15S.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1
InChIKey
OFOZWFGJJSDVIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
95.06
TPSA
1.0000

LogP / Solubility

WLOGP
8.16
MLOGP
7.21
XLogP3
8.16
Consensus LogP
7.84
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
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)
0.59

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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