![CAS 88816-02-8 Belleau’s Reagent [Sulfurating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1517-jpgcontextbwfzdgvyfhjvb3r8mjcxndn8aw1hz2uvanblz3xoyjcvage1lzg5mjg2njc1njyxmtavqje1mtcuanbnfde4odljmdu3ytkyotu0zdcwzjmzmmzkzwnlmwnmzta1mdm2ywexmtjmngrlzjewnjk3mtrjmtk5ngi0ywexzja.jpeg)
CAS RN: 88816-02-8
Belleau’s Reagent [Sulfurating Reagent]
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 1g | In stock | Shanghai | Inquiry |
- Product code: ICTB1517
88816-02-8 / 2,4-bis(4-phenoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
Basic Information
CAS
88816-02-8
Multi CAS
No
Molecular Formula
C24H18O2P2S4
Molecular Weight
528.600000
Exact Mass
527.966489
InChI
InChI=1S/C24H18O2P2S4/c29-27(23-15-11-21(12-16-23)25-19-7-3-1-4-8-19)31-28(30,32-27)24-17-13-22(14-18-24)26-20-9-5-2-6-10-20/h1-18H
InChIKey
BFIWQSSAMKDRRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
148.94
TPSA
18.46
LogP / Solubility
WLOGP
8.32
MLOGP
7.36
XLogP3
9.2
Consensus LogP
8.29
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-9.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.72
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)
-0.04
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
3.5
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