![CAS 54660-00-3 3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3743-jpgcontextbwfzdgvyfhjvb3r8mzu4mdb8aw1hz2uvanblz3xozgyvagiwlzg5mzaymtk2ntuxotgvrdm3ndmuanbnfgq2zjblyjc4zthiodzlytg0mgy3zguymgzknwi5m2zjnzvknzm2nwjln2ewyjg2ywnkzme5zmq2yzbhndy4yjg.jpeg)
CAS RN: 54660-00-3
3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-162441
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
54660-00-3 / 3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
Basic Information
CAS
54660-00-3
Multi CAS
Yes
Molecular Formula
C18H12N2O2
Molecular Weight
288.300000
Exact Mass
288.089878
InChI
InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10,19,22H
InChIKey
KKLJFKIBTOBVJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.3
TPSA
65.45
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
