CAS RN: 57-96-5
Sulfinpyrazone
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250925 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250618 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250909 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250413 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251110 | 25g | In stock | Shanghai, Chongqing | Inquiry |
| Batchno.20250130 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 5g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250122 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTU0114
- Purity/Analytical Methods: >98.0%(T)(HPLC)
57-96-5 / 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
Basic Information
CAS
57-96-5
Multi CAS
Yes
Molecular Formula
C23H20N2O3S
Molecular Weight
404.500000
Exact Mass
404.119464
InChI
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey
MBGGBVCUIVRRBF-UHFFFAOYSA-N
Physical Properties
Melting Point
136-137 °C
MELTING POINT: 130-133 °C /D-FORM, L-FORM/
136 - 137 °C
Physical Description
Solid
Appearance
WHITE TO OFF-WHITE
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
113.68
TPSA
57.69
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
2.3
Consensus LogP
3.15
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
