![CAS 314291-83-3 4-[2-[1,5-dihydro-3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]hydrazinyl]-benzenesulfonic acid sodium salt hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/314291-83-3.gif)
CAS RN: 314291-83-3
4-[2-[1,5-dihydro-3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]hydrazinyl]-benzenesulfonic acid sodium salt hydrate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20260622 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250606 | 250mg | Out of stock | Inquiry | |
| Batchno.20250706 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260306 | 50mg | In stock | Shenzhen | Inquiry |
| Batchno.20260118 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS314291-83-3
- Purity/Analytical Methods: >99.0%
314291-83-3 / 4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Basic Information
CAS
314291-83-3
Multi CAS
Yes
Molecular Formula
C21H15N5O6S
Molecular Weight
465.400000
Exact Mass
465.074304
InChI
InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
InChIKey
IYPHPQODKSHEHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
23
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
118.91
TPSA
160.02
LogP / Solubility
WLOGP
4.4
MLOGP
3.91
XLogP3
3.7
Consensus LogP
4
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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