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CAS 59626-68-5 (4-Hydroxyphenyl)dimethylsulfonium Hexafluorophosphate molecular structure lightbox
CAS RN: 59626-68-5

(4-Hydroxyphenyl)dimethylsulfonium Hexafluorophosphate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260305 5g Out of stock Inquiry
  • Product code: SSC-168142
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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 59626-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

59626-68-5 / (4-hydroxyphenyl)-dimethylsulfanium hexafluorophosphate

Standard CAS: 59626-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59626-68-5
Multi CAS
No
Molecular Formula
C8F6H11OPS
Molecular Weight
300.200000
Exact Mass
300.017242
InChI
InChI=1S/C8H10OS.F6P/c1-10(2)8-5-3-7(9)4-6-8;1-7(2,3,4,5)6/h3-6H,1-2H3;/q;-1/p+1
InChIKey
IFRVDSNOWQHVHY-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.15
TPSA
20.23

LogP / Solubility

WLOGP
5.01
MLOGP
4.42
XLogP3
5.01
Consensus LogP
4.81
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

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

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