(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one
Structure Info
- Chemspace ID
- CSSB00000043579 (In-Stock Building Blocks)
- MFCD
- MFCD00152561, MFCD00599507
- IUPAC Name
- (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one
- Mol formula
- C21H21NO6
- Mol weight
- 383 Da
- Catalog Number(s)
- 22363, 6606AF, AA008TJB, AA00EESA, AE11427, AG008TM3, AG72246, AKOS024282347, AKOS040915208, AR008UB3, BD42832, BIA-H1954, BS-18607, BUP05960, CD31004394, CSC000043579, EC008VRV, F85194, FH171090, FH61654, H675690, H675701, HY-B0927, LN01287169, M23349, PBMR1742789, ST008V2V, ST00EGBU, TQ0160, TX008URR, TX00EG0Q, Y1232764, ZXC170270
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.74
- Heavy atoms count
- 28
- Rotatable bond count
- 3
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one (C21H21NO6) - CSSB00000043579](/st/structure/200/a53777d5aea3d485440e00685162195b/COC1%253DCC%253DC2%255BC%2540H%255D%2528OC%2528%253DO%2529C2%253DC1OC%2529%255BC%2540%2540H%255D1N%2528C%2529CCC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png "C21H21NO6")
- Zoom the structure
- CSSB00000043579
Items Overall 33 items from 8 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 3 days | China To: | 98 | 5 mg | 79.20 | |
| 1st Scientific CN | 3 days | China To: | 98 | 10 mg | 151.80 | |
| 1st Scientific CN | 3 days | China To: | 98 | 25 mg | 273.90 | |
| 1st Scientific CN | 3 days | China To: | 98 | 50 mg | 467.50 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 98 | 5 mg | 79.20 | |
| 1st Scientific LLC | 3 days | United States To: | 98 | 10 mg | 151.80 | |
| 1st Scientific LLC | 3 days | United States To: | 98 | 25 mg | 273.90 | |
| 1st Scientific LLC | 3 days | United States To: | 98 | 50 mg | 467.50 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| Angene International Limited | 10 days | China To: | 99 | 1 mg | 97.20 | |
| Angene International Limited | 10 days | China To: | 99 | 5 mg | 243.90 | |
| Angene International Limited | 10 days | China To: | 99 | 20 mg | 252.00 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| A2B Chem | 12 days | United States To: | 99 | 2 mg | 32.20 | |
| A2B Chem | 12 days | United States To: | 99 | 5 mg | 51.75 | |
| A2B Chem | 12 days | United States To: | 99 | 10 mg | 96.60 | |
| A2B Chem | 12 days | United States To: | 99 | 25 mg | 159.85 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| AA BLOCKS | 12 days | United States To: | 90 | 2 mg | 56.10 | |
| AA BLOCKS | 12 days | United States To: | 90 | 5 mg | 75.90 | |
| AA BLOCKS | 12 days | United States To: | 90 | 10 mg | 121.00 | |
| AA BLOCKS | 12 days | United States To: | 90 | 25 mg | 183.70 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 1 mg | 60.95 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 5 mg | 125.35 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 10 mg | 225.40 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 25 mg | 376.05 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 50 mg | 554.30 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 1 mg | 80.30 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 5 mg | 170.50 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 10 mg | 311.30 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 20 mg | 394.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 50 mg | 771.10 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
| 10X CHEM | TBD | United States To: | 90 | 2 mg | 25.30 | |
| 10X CHEM | TBD | United States To: | 90 | 5 mg | 41.80 | |
| 10X CHEM | TBD | United States To: | 90 | 10 mg | 77.00 | |
| 10X CHEM | TBD | United States To: | 90 | 25 mg | 127.60 | |
Description: (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; CAS: 118-08-1 | ||||||
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Substructure Analogs
![Chemical structure of (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride - CSSB00020654965](/st/structure/200/f3ba3576bebd068f735bc5e95a4d7b39/Cl.COC1%253DCC%253DC2%255BC%2540H%255D%2528OC%2528%253DO%2529C2%253DC1OC%2529%255BC%2540%2540H%255D1N%2528C%2529CCC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
Similarity Analogs
![Chemical structure of (10S)-10-[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one - CSSB00137410167](/st/structure/200/c6610b84e7c8b64333649eaf8ba2b7ba/COC1%253DCC2%253DC%2528C%253DC1OC%2529%255BC%2540H%255D%2528%255BC%2540H%255D1OC%2528%253DO%2529C3%253DC1C%253DCC1%253DC3OCO1%2529N%2528C%2529CC2.png)
![Chemical structure of (10R)-10-[(5S)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one - CSSB00000042325](/st/structure/200/0126465b6901774a73d5a34a55e9ad21/CN1CCC2%253DCC3%253DC%2528OCO3%2529C%253DC2%255BC%2540H%255D1%255BC%2540%2540H%255D1OC%2528%253DO%2529C2%253DC1C%253DCC1%253DC2OCO1.png)
![Chemical structure of 10-{6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one - CSSB00020668875](/st/structure/200/9bb481f00bd7a1548a5caea732b5aca4/CN1CCC2%253DCC3%253DC%2528OCO3%2529C%253DC2C1C1OC%2528%253DO%2529C2%253DC1C%253DCC1%253DC2OCO1.png)
![Chemical structure of (S)-(2-formyl-3,4-dimethoxyphenyl)[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate - CSSB00102512578](/st/structure/200/91d5e9ebd99f8a8659b20f605e74be41/COC1%253DCC%253DC%2528%255BC%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540H%255D2N%2528C%2529CCC3%253DCC4%253DC%2528OCO4%2529C%2528OC%2529%253DC23%2529C%2528C%253DO%2529%253DC1OC.png)
![Chemical structure of (1R,3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol - CSSB21380386124](/st/structure/200/9fca223916c77e17f372ec2736cd3c56/COC1%253DCC%253DC2%255BC%2540H%255D%2528O%255BC%2540%2540H%255D%2528O%2529C2%253DC1OC%2529%255BC%2540%2540H%255D1N%2528C%2529CCC2%253DCC3%253DC%2528OCO3%2529C%2528OC%2529%253DC12.png)
![Chemical structure of (1S,11R,18R)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-2(7),3,5,12(17),13,15-hexaen-18-ol - CSSB06595023409](/st/structure/200/0723074d3e56c27f4eb20c5ffb5f2994/COc1cc2CCN%2528C%2529%255BC%2540H%255D3%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D%2528O%2529c4c3ccc%2528OC%2529c4OC%2529c2cc1OC.png)
