Ethyl (2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-1H,2H,3H,4H,6H,11H,11aH-pyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
Structure Info
- Chemspace ID
- CSSB00020665513 (In-Stock Building Blocks)
- MFCD
- MFCD28988975, MFCD18252326
- IUPAC Name
- ethyl (2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-1H,2H,3H,4H,6H,11H,11aH-pyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
- Mol formula
- C25H28N2O4
- Mol weight
- 421 Da
- Catalog Number(s)
- AA0085CU, AD80090, AG0085FM, AGN-PC-0OSKO8, AKOS027324520, APS103733499, BD293611, CSC020665513, FQ27370, HY-114547, JH605202, LN01293753, Q670005, T19631, TX0086LA, Y3115746, ZXC384607
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.43
- Heavy atoms count
- 31
- Rotatable bond count
- 7
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 67
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of Ethyl (2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-1H,2H,3H,4H,6H,11H,11aH-pyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate (C25H28N2O4) - CSSB00020665513](/st/structure/200/1eef71896be255ea11c679ca2bc17ee3/CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N1%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2CC3%253DCC%253DCC%253DC3C%255BC%2540H%255D2C1%253DO.png "C25H28N2O4")
- Zoom the structure
- CSSB00020665513
Items Overall 3 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| A2B Chem | 12 days | United States To: | 90 | 50 mg | 1,421.40 | |
Description: PD 109488; CAS: 103733-49-9 | ||||||
| eNovation CN | 20 days | China To: | 95 | 20 mg | 465.75 | |
Description: Quinapril Diketopiperazine; CAS: 103733-49-9 | ||||||
| 10X CHEM | TBD | United States To: | 90 | 50 mg | 1,167.10 | |
Description: PD 109488; CAS: 103733-49-9 | ||||||
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