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CAS 597-82-0 TRIPHENYL PHOSPHOROTHIONATE molecular structure lightbox
CAS RN: 597-82-0

TRIPHENYL PHOSPHOROTHIONATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100g In stock Shanghai Inquiry
Batchno.20250316 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250708 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS597-82-0
  • Purity/Analytical Methods: >99.0%
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597-82-0 / triphenoxy(sulfanylidene)-lambda5-phosphane

Standard CAS: 597-82-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
597-82-0
Multi CAS
No
Molecular Formula
C18H15O3PS
Molecular Weight
342.300000
Exact Mass
342.047953
InChI
InChI=1S/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
InChIKey
IKXFIBBKEARMLL-UHFFFAOYSA-N

Physical Properties

Physical Description
Gas or Vapor, Liquid, Other Solid; Liquid; Dry Powder; Other Solid
State
Gas

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
95.5
TPSA
27.69

LogP / Solubility

WLOGP
5.45
MLOGP
4.81
XLogP3
6.3
Consensus LogP
5.52
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

Drug-likeness / Medicinal Chemistry

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

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