![CAS 1251021-42-7 Cis-Tert-Butyl5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251021-42-7.gif)
CAS RN: 1251021-42-7
Cis-Tert-Butyl5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate
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.20250319 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029750
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 | Hong Kong | Inquiry |
1251021-42-7 / tert-butyl (3aS,6aS)-5-oxo-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylate
Basic Information
CAS
1251021-42-7
Multi CAS
No
Molecular Formula
C11H18N2O3
Molecular Weight
226.270000
Exact Mass
226.131742
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-4-7-8(13)6-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
InChIKey
YHTGHPTUAIZKDM-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.89
TPSA
58.64
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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