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MCULE-8705522396
Compound
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- 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 | 88 USD | 95 | 14 working days | Get Quote |
| 5 mg | 88 USD | 95 | 14 working days | Get Quote |
| 10 mg | 88 USD | 95 | 14 working days | Get Quote |
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1
MCULE-7672642734
- Component type: Main
-
1
MCULE-5893043131
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8705522396.sdf |
| SMILES | MCULE-8705522396.smiles |
| Standard InChI | MCULE-8705522396.inchi |
| InChIKey | MCULE-8705522396.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867647164 | 98 | As is | in stock |
| P-1265854674 | 98 | As is | in stock |
| P-869231176 | 95 | As is | by resynthesis (? - ? days) |
| P-1264392711 | 95 | As is | in stock |
| P-871066178 | 95 | As is | in stock |
| P-867641705 | 95 | Main component | in stock |
| P-875807745 | 95 | Main component | in stock |
| P-1275176183 | 95 | Main component | in stock |
| P-893223737 | 95 | Main component | in stock |
| P-870652232 | N/A | Main component | in stock |
| P-854697576 | 95 | Main component | by synthesis |
| P-892276032 | 95 | Main component | unavailable |
| P-892352294 | 95 | Main component | unavailable |
| P-611436635 | 90 | Main component | in stock |
| P-886926441 | 97 | Main component | by synthesis |
| P-854694972 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 484.540 |
| logP | 4.4054 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 137.95 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 132.3175 |
| Atoms | 67 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
