![CAS 929046-33-3 N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929046-33-3.gif)
CAS RN: 929046-33-3
N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250412 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260223 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250420 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260128 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250725 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260502 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250326 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS929046-33-3
- Purity/Analytical Methods: >99.0%
929046-33-3 / N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
Basic Information
CAS
929046-33-3
Multi CAS
Yes
Molecular Formula
C33F7H35N4O3
Molecular Weight
668.600000
Exact Mass
668.259738
InChI
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1
InChIKey
DWRIJNIPBUFCQS-DQEYMECFSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
161.65
TPSA
69.14
LogP / Solubility
WLOGP
6.06
MLOGP
5.39
XLogP3
5.9
Consensus LogP
5.78
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 929047-07-4 (R)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-4-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
Pyrazino[2,1-c][1,4]oxazin-9(6H)-one, hexahydro-
- CAS RN: 929047-10-9
- Product Code: SSC-206815
-
-
2H-Pyrazino[1,2-a]pyrazin-1(6H)-one, hexahydro-
- CAS RN: 929047-73-4
- Product Code: SSC-206820
-
3-Pyridinamine, 6-chloro-4-(4-fluoro-2-methylphenyl)-
- CAS RN: 929048-28-2
- Product Code: SSC-206821
-
![CAS 929047-07-4 (R)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929047-07-4.gif)
![CAS 929047-10-9 Pyrazino[2,1-c][1,4]oxazin-9(6H)-one, hexahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929047-10-9.gif)
![CAS 929047-73-4 2H-Pyrazino[1,2-a]pyrazin-1(6H)-one, hexahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929047-73-4.gif)
![CAS 929074-39-5 7-Bromo-2-methyl-1H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929074-39-5.gif)