CAS RN: 2001537-57-9
2,5-Dioxo-1-pyrrolidinyl 4-(1,2,2-triphenylethenyl)benzoate
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260116 | 1g | Out of stock | Inquiry | |
| Batchno.20250507 | 250mg | In stock | Shenzhen | Inquiry |
| Batchno.20250915 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS2001537-57-9
- Purity/Analytical Methods: >99.0%
2001537-57-9 / (2,5-dioxopyrrolidin-1-yl) 4-(1,2,2-triphenylethenyl)benzoate
Basic Information
CAS
2001537-57-9
Multi CAS
No
Molecular Formula
C31H23NO4
Molecular Weight
473.500000
Exact Mass
473.162708
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H23NO4/c33-27-20-21-28(34)32(27)36-31(35)26-18-16-25(17-19-26)30(24-14-8-3-9-15-24)29(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20-21H2
InChIKey
AFMHDDYZINMVBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
137.29
TPSA
63.68
LogP / Solubility
WLOGP
5.91
MLOGP
5.24
XLogP3
6.9
Consensus LogP
6.02
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 2001563-56-8 6-BROMO-3-FLUOROIMIDAZO[1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2001563-56-8.png)
