![CAS 1464137-25-4 (R)-8-((4-(Trifluoromethyl)phenyl)sulfonyl)hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1464137-25-4.gif)
CAS RN: 1464137-25-4
(R)-8-((4-(Trifluoromethyl)phenyl)sulfonyl)hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one
- Product code: SSC-057463
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 |
1464137-25-4 / (9aR)-8-[4-(trifluoromethyl)phenyl]sulfonyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
Basic Information
CAS
1464137-25-4
Multi CAS
No
Molecular Formula
C14H15F3N2O4S
Molecular Weight
364.340000
Exact Mass
364.070463
SMILES
C1CN2[C@H](CN1S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)COCC2=O
InChI
InChI=1S/C14H15F3N2O4S/c15-14(16,17)10-1-3-12(4-2-10)24(21,22)18-5-6-19-11(7-18)8-23-9-13(19)20/h1-4,11H,5-9H2/t11-/m1/s1
InChIKey
QXBCCNAVBIVTBX-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.52
TPSA
66.92
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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