![CAS 132714-97-7 (7R,8aS)-2-Benzyl-7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132714-97-7.gif)
CAS RN: 132714-97-7
(7R,8aS)-2-Benzyl-7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250809 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-039520
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 | Beijing | Inquiry |
132714-97-7 / (7R,8aS)-2-benzyl-7-hydroxy-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Basic Information
CAS
132714-97-7
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
SMILES
C1[C@H](CN2[C@@H]1C(=O)N(CC2=O)CC3=CC=CC=C3)O
InChI
InChI=1S/C14H16N2O3/c17-11-6-12-14(19)15(9-13(18)16(12)8-11)7-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2/t11-,12+/m1/s1
InChIKey
KUCDEHRBENETSA-NEPJUHHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.98
TPSA
60.85
LogP / Solubility
WLOGP
-0.01
XLogP3
0.1
Consensus LogP
0.03
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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