![CAS 1204603-42-8 (7R,8aS)-tert-butyl 7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204603-42-8.gif)
CAS RN: 1204603-42-8
(7R,8aS)-tert-butyl 7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-2(1H)-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.20250209 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-021477
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1204603-42-8 / tert-butyl (7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
(7R,8aS)-tert-Butyl 7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate | MFCD15530244 | tert-butyl (7R,8aS)-7-hydroxy-octahydropyrrolo[1,2-a]piperazine-2-carboxylate
Basic Information
CAS
1204603-42-8
Multi CAS
Yes
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC(=O)N1CCN2C[C@@H](C[C@H]2C1)O
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-5-4-13-8-10(15)6-9(13)7-14/h9-10,15H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKey
SZLUJRHLIZAWGS-VHSXEESVSA-N
Synonyms
(7R,8aS)-tert-Butyl 7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
MFCD15530244
tert-butyl (7R,8aS)-7-hydroxy-octahydropyrrolo[1,2-a]piperazine-2-carboxylate
tert-Butyl (7R,8aS)-7-hydroxyoctahydropyrrolo[1,2-a]piperazine-2-carboxylate
tert-Butyl (7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.79
TPSA
53.01
LogP / Solubility
WLOGP
0.67
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.59
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.79
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)
-3.72
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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