![CAS 1089280-11-4 (S)-8-Benzylhexahydropyrazino[2,1-C][1,4]Oxazine-6,7-Dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1089280-11-4.gif)
CAS RN: 1089280-11-4
(S)-8-Benzylhexahydropyrazino[2,1-C][1,4]Oxazine-6,7-Dione
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.20250318 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1089280-11-4
- Purity/Analytical Methods: >99.0%
1089280-11-4 / (9aS)-8-benzyl-3,4,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-6,7-dione
(S)-8-BENZYLHEXAHYDROPYRAZINO[2,1-C][1,4]OXAZINE-6,7-DIONE | MFCD20526988 | (9aS)-8-benzyl-octahydropyrazino[2,1-c][1,4]oxazine-6,7-dione
Basic Information
CAS
1089280-11-4
Multi CAS
Yes
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
SMILES
C1COC[C@H]2N1C(=O)C(=O)N(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H16N2O3/c17-13-14(18)16-6-7-19-10-12(16)9-15(13)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKey
OLQKXQMOHXDQKJ-LBPRGKRZSA-N
Synonyms
(S)-8-BENZYLHEXAHYDROPYRAZINO[2,1-C][1,4]OXAZINE-6,7-DIONE
MFCD20526988
(9aS)-8-benzyl-octahydropyrazino[2,1-c][1,4]oxazine-6,7-dione
(9aS)-8-benzyl-3,4,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-6,7-dione
SCHEMBL310229
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.18
TPSA
49.85
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.6
Consensus LogP
0.36
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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