MCULE-6486587646-0
- 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 | 13 USD | 97 | 14 working days | Get Quote |
| 5 mg | 13 USD | 97 | 14 working days | Get Quote |
| 10 mg | 13 USD | 97 | 14 working days | Get Quote |
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1
MCULE-7360729712-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6486587646-0.sdf |
| SMILES | MCULE-6486587646-0.smiles |
| Standard InChI | MCULE-6486587646-0.inchi |
| InChIKey | MCULE-6486587646-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270261342 | 95 | As is | in stock |
| P-1270055750 | 95 | As is | by synthesis |
| P-1273194827 | 95 | As is | 5 g |
| P-1263081857 | N/A | As is | by synthesis |
| P-1263325653 | 95 | As is | by synthesis |
| P-867547498 | 97 | Main component | in stock |
| P-875704256 | 97 | Main component | in stock |
| P-590401554 | 98 | Main component | by resynthesis (? - ? days) |
| P-903029548 | 97 | Main component | 25 g |
| P-905486748 | 95 | Main component | 1000 mg |
| P-1270333797 | 98 | Main component | in stock |
| P-606870405 | N/A | Main component | in stock |
| P-864094142 | 97 | Main component | in stock |
| P-666964401 | 98 | Main component | 7 g |
| P-505578155 | 97 | Main component | in stock |
| P-505590137 | 95 | Main component | in stock |
| P-868591136 | 97 | Main component | in stock |
| P-861987162 | 97 | Main component | 69.602 g |
| P-905338067 | 97 | Main component | 53.25 g |
| P-505546346 | 95 | Main component | in stock |
| P-12599748 | 92 | Main component | 7 mg |
| P-608098636 | 95 | Main component | in stock |
| P-852443646 | 95 | Main component | by synthesis |
| P-492274837 | 95 | Main component | 329 mg |
| P-12394733 | 90 | Main component | 329 mg |
| P-888891188 | N/A | Main component | in stock |
| P-500408941 | 95 | Main component | by synthesis |
| P-596754176 | 95 | Main component | 41.4 g |
| P-611561389 | 90 | Main component | in stock |
| P-868504340 | 97 | Main component | in stock |
| P-867670938 | 95 | Main component as a main component | in stock |
| P-875844624 | 99 | Main component as a main component | in stock |
| P-590841191 | 95 | Main component as a main component | by synthesis |
| P-492268697 | 95 | Main component as a main component | in stock |
| P-617651387 | 90 | Main component as a main component | in stock |
| P-584602927 | 95 | Main component as a main component | in stock |
| P-868634430 | 99 | Main component as a main component | in stock |
| P-855951994 | 95 | Main component as a main component | 1000 mg |
| P-854831212 | 95 | Main component as a main component | by synthesis |
| P-873226841 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 170.595 |
| logP | 2.0705 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 48.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.0817 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

