![CAS 1429200-47-4 (7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429200-47-4.gif)
CAS RN: 1429200-47-4
(7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol
- Product code: SSC-054208
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 | Shanghai | Inquiry |
1429200-47-4 / (7S,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
Basic Information
CAS
1429200-47-4
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
SMILES
C1CN2C[C@H](C[C@@H]2CN1)O
InChI
InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m1/s1
InChIKey
VLVMRQREBYGIBY-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.85
TPSA
35.5
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.8
Consensus LogP
-0.88
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-4.28
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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