![CAS 1932649-06-3 (7R,8aS)-7-fluorooctahydropyrrolo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11079228(1).gif)
CAS RN: 1932649-06-3
(7R,8aS)-7-fluorooctahydropyrrolo[1,2-a]pyrazine
- Product code: SSC-090678
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 |
1932649-06-3 / (7R,8aS)-7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Basic Information
CAS
1932649-06-3
Multi CAS
No
Molecular Formula
C7H13FN2
Molecular Weight
144.190000
Exact Mass
144.106277
SMILES
C1CN2C[C@@H](C[C@H]2CN1)F
InChI
InChI=1S/C7H13FN2/c8-6-3-7-4-9-1-2-10(7)5-6/h6-7,9H,1-5H2/t6-,7+/m1/s1
InChIKey
GEJVEGQYNKOYPG-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.74
TPSA
15.27
LogP / Solubility
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.6
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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