![CAS 1021878-40-9 (3aR,6aR)-rel-hexahydro-Pyrrolo[3,4-b]pyrrol-6(1H)-one (Relative struc) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1021878-40-9.gif)
CAS RN: 1021878-40-9
(3aR,6aR)-rel-hexahydro-Pyrrolo[3,4-b]pyrrol-6(1H)-one (Relative struc)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-003457
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1021878-40-9 / (3aS,6aS)-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
CIS-HEXAHYDROPYRROLO[3,4-B]PYRROL-6(6AH)-ONE | MFCD13195257 | (3aS,6aS)-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
Basic Information
CAS
1021878-40-9
Multi CAS
Yes
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
C1CN[C@H]2[C@@H]1CNC2=O
InChI
InChI=1S/C6H10N2O/c9-6-5-4(3-8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChIKey
OWUKCNLPZKSUSF-WHFBIAKZSA-N
Synonyms
CIS-HEXAHYDROPYRROLO[3,4-B]PYRROL-6(6AH)-ONE
MFCD13195257
(3aS,6aS)-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
(3AS,6aS)-hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one
SCHEMBL27154571
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.91
TPSA
41.13
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.7
Consensus LogP
-0.81
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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