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MCULE-2879694567
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 | 57 USD | 99 | 12 working days | Get Quote |
| 5 mg | 57 USD | 99 | 12 working days | Get Quote |
| 10 mg | 57 USD | 99 | 12 working days | Get Quote |
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1
MCULE-7891781878
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2879694567.sdf |
| SMILES | MCULE-2879694567.smiles |
| Standard InChI | MCULE-2879694567.inchi |
| InChIKey | MCULE-2879694567.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264056816 | 99 | As is | in stock |
| P-500417215 | N/A | As is | in stock |
| P-855920626 | 97 | As is | 1000 mg |
| P-896628527 | 95 | As is | by synthesis |
| P-871066907 | 95 | As is | in stock |
| P-500410287 | 98 | As is | by synthesis |
| P-870646114 | N/A | Main component | in stock |
| P-899782629 | 95 | Main component | 5 mg |
| P-906839590 | 97 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 445.450 |
| logP | -0.5305 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 179.33 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.8512 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 16 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
