MCULE-8695892161-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | 97 | 22 working days | Get Quote |
| 5 mg | 8 USD | 97 | 22 working days | Get Quote |
| 10 mg | 11 USD | 97 | 22 working days | Get Quote |
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1
MCULE-1040077858-0
- Component type: Main
-
1
MCULE-5726619687-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8695892161-0.sdf |
| SMILES | MCULE-8695892161-0.smiles |
| Standard InChI | MCULE-8695892161-0.inchi |
| InChIKey | MCULE-8695892161-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633664 | 98 | As is | in stock |
| P-875799065 | 98 | As is | in stock |
| P-590361758 | 99 | As is | by resynthesis (? - ? days) |
| P-580193150 | 98 | As is | in stock |
| P-903153885 | 99 | As is | 100 mg |
| P-1264046663 | 100 | As is | in stock |
| P-893596583 | 90 | As is | 17.57 g |
| P-606929795 | N/A | As is | in stock |
| P-596967201 | 99 | As is | 100 mg |
| P-1273451074 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473165 | 95 | As is | by resynthesis (? - ? days) |
| P-864097673 | 95 | As is | in stock |
| P-860056595 | 98 | As is | by synthesis |
| P-868544006 | 98 | As is | in stock |
| P-580717829 | 98 | As is | 1000 mg |
| P-901457940 | 95 | As is | by synthesis |
| P-881634052 | 98 | As is | in stock |
| P-851243186 | 95 | As is | by synthesis |
| P-860797625 | 98 | As is | in stock |
| P-861516006 | 95 | As is | by synthesis |
| P-579478844 | 95 | As is | in stock |
| P-901411364 | 99 | As is | 100 mg |
| P-588708719 | 95 | As is | 100 mg |
| P-1272597157 | 95 | As is | 1000 mg |
| P-852521148 | 95 | As is | by synthesis |
| P-854714172 | 95 | As is | in stock |
| P-904640952 | 95 | As is | by synthesis |
| P-474026481 | 95 | As is | in stock |
| P-608275414 | 98 | As is | in stock |
| P-589631346 | 98 | As is | in stock |
| P-579709873 | 98 | As is | in stock |
| P-906784371 | 99 | As is | by synthesis |
| P-611476084 | 90 | As is | in stock |
| P-666984400 | 98 | As is | in stock |
| P-867567567 | 97 | Main component | in stock |
| P-875727922 | 97 | Main component | in stock |
| P-1275150090 | 95 | Main component | in stock |
| P-1275198626 | 98 | Main component | in stock |
| P-580193981 | 98 | Main component | in stock |
| P-1264050221 | 95 | Main component | in stock |
| P-610962986 | 90 | Main component | 18.52 g |
| P-1270374826 | 98 | Main component | in stock |
| P-606836056 | N/A | Main component | in stock |
| P-596947957 | 98 | Main component | 2 g |
| P-1273454029 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273473362 | 95 | Main component | by resynthesis (? - ? days) |
| P-864173686 | 98 | Main component | in stock |
| P-580717889 | 98 | Main component | 12.2 g |
| P-871219470 | N/A | Main component | by resynthesis (? - ? days) |
| P-893236777 | 95 | Main component | in stock |
| P-851261261 | 95 | Main component | by synthesis |
| P-870585022 | 98 | Main component | in stock |
| P-579480295 | 95 | Main component | in stock |
| P-901407126 | 98 | Main component | 2 g |
| P-905326574 | 98 | Main component | 2 g |
| P-505536893 | 95 | Main component | in stock |
| P-875678714 | N/A | Main component | in stock |
| P-854717092 | 95 | Main component | in stock |
| P-1263158656 | 95 | Main component | in stock |
| P-474026478 | 95 | Main component | in stock |
| P-608274632 | 98 | Main component | in stock |
| P-1263957988 | 90 | Main component | in stock |
| P-873283147 | N/A | Main component | in stock |
| P-892295060 | 95 | Main component | unavailable |
| P-594273570 | 95 | Main component | 258 mg |
| P-888656287 | 95 | Main component | 227 mg |
| P-906800583 | 99 | Main component | by synthesis |
| P-611476083 | 90 | Main component | in stock |
| P-895188496 | 95 | Main component as a main component | by synthesis |
| P-895188497 | 95 | Main component as a main component | by synthesis |
| P-895188500 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 421.359 |
| logP | 2.7704 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 144.49 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 110.2935 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

