![CAS 1245606-71-6 1H-Pyrrole-2,5-dione, 1-[4-[2-(4-Methylphenyl)-1,2-diphenylethenyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245606-71-6.gif)
CAS RN: 1245606-71-6
1H-Pyrrole-2,5-dione, 1-[4-[2-(4-Methylphenyl)-1,2-diphenylethenyl]phenyl]-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250928 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260125 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250720 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251009 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260305 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260316 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1245606-71-6
- Purity/Analytical Methods: >99.0%
1245606-71-6 / 1-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]pyrrole-2,5-dione
Basic Information
CAS
1245606-71-6
Multi CAS
No
Molecular Formula
C31H23NO2
Molecular Weight
441.500000
Exact Mass
441.172879
SMILES
CC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)N4C(=O)C=CC4=O)/C5=CC=CC=C5
InChI
InChI=1S/C31H23NO2/c1-22-12-14-25(15-13-22)30(23-8-4-2-5-9-23)31(24-10-6-3-7-11-24)26-16-18-27(19-17-26)32-28(33)20-21-29(32)34/h2-21H,1H3
InChIKey
CIMVFJJQFXGASK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
137.16
TPSA
37.38
LogP / Solubility
WLOGP
6.43
MLOGP
5.69
XLogP3
7.5
Consensus LogP
6.54
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
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)
-0.85
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
3.5
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