![CAS 1202067-90-0 tetrahydro-Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202067-90-0.gif)
CAS RN: 1202067-90-0
tetrahydro-Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
- Product code: SSC-021057
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1202067-90-0 / 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
perhydropyrrolo(3,4-c)pyrrole-1,3-dione | Perhydropyrrolo[3,4-c]pyrrole-1,3-dione | RefChem:928841
Basic Information
CAS
1202067-90-0
Multi CAS
Yes
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
C1C2C(CN1)C(=O)NC2=O
InChI
InChI=1S/C6H8N2O2/c9-5-3-1-7-2-4(3)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10)
InChIKey
TXVCGCJYCUKMIM-UHFFFAOYSA-N
Synonyms
perhydropyrrolo(3,4-c)pyrrole-1,3-dione
Perhydropyrrolo[3,4-c]pyrrole-1,3-dione
RefChem:928841
Hexahydropyrrolo[3,4-c]pyrrole-1,3-dione
octahydropyrrolo[3,4-c]pyrrole-1,3-dione
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33
TPSA
58.2
LogP / Solubility
WLOGP
-1.52
MLOGP
-1.35
XLogP3
-1.6
Consensus LogP
-1.49
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.69
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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