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UNKNOWN STEREO
MCULE-4669563729
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 | 16 USD | 95 | 22 working days | Get Quote |
| 5 mg | 16 USD | 95 | 22 working days | Get Quote |
| 10 mg | 16 USD | 95 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-8728421654
- Component type: Main
-
1
MCULE-8407868694
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4669563729.sdf |
| SMILES | MCULE-4669563729.smiles |
| Standard InChI | MCULE-4669563729.inchi |
| InChIKey | MCULE-4669563729.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893234735 | 95 | As is | in stock |
| P-611522348 | 90 | As is | in stock |
| P-867672291 | 95 | Main component | in stock |
| P-864125718 | 95 | Main component | in stock |
| P-488543579 | 90 | Main component | in stock |
| P-502335689 | 90 | Main component | in stock |
| P-854956060 | 90 | Main component | in stock |
| P-855029277 | 90 | Main component | in stock |
| P-855029278 | 90 | Main component | in stock |
| P-872823423 | N/A | Main component as a main component | by synthesis |
| P-901245267 | N/A | Main component as a main component | by synthesis |
| P-905452061 | 95 | Main component as a main component | by synthesis |
| P-855053605 | 90 | Main component as a main component | in stock |
| P-855369454 | 90 | Main component as a main component | in stock |
| P-855369457 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 300.352 |
| logP | 2.8766 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 73.66 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 88.5523 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
