![CAS 310460-39-0 4-[3-(2-Chlorophenyl)-2-propen-1-ylidene]-1-phenyl-3,5-pyrazolidinedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/310460-39-0.gif)
CAS RN: 310460-39-0
4-[3-(2-Chlorophenyl)-2-propen-1-ylidene]-1-phenyl-3,5-pyrazolidinedione
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250127 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250929 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260508 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS310460-39-0
- Purity/Analytical Methods: >99.0%
310460-39-0 / 4-[3-(2-chlorophenyl)prop-2-enylidene]-1-phenylpyrazolidine-3,5-dione
Basic Information
CAS
310460-39-0
Multi CAS
Yes
Molecular Formula
C18H13CLN2O2
Molecular Weight
324.800000
Exact Mass
324.066555
InChI
InChI=1S/C18H13ClN2O2/c19-16-12-5-4-7-13(16)8-6-11-15-17(22)20-21(18(15)23)14-9-2-1-3-10-14/h1-12H,(H,20,22)
InChIKey
VVZJFICTTKPNCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.64
TPSA
49.41
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
4.1
Consensus LogP
3.48
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
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
Yes
Synthetic Accessibility
2.5
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