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MCULE-4955930575-0
Structure
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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 | 17 USD | 98 | 15 working days | Get Quote |
| 5 mg | 47 USD | 99 | 15 working days | Get Quote |
| 10 mg | 70 USD | 99 | 15 working days | Get Quote |
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1
MCULE-6178218545-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4955930575-0.sdf |
| SMILES | MCULE-4955930575-0.smiles |
| Standard InChI | MCULE-4955930575-0.inchi |
| InChIKey | MCULE-4955930575-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275892674 | 95 | As is | by synthesis |
| P-580726588 | 98 | Main component | 1.199 g |
| P-900267282 | N/A | Main component | by resynthesis (? - ? days) |
| P-851247333 | 95 | Main component | by synthesis |
| P-887323128 | 95 | Main component | by synthesis |
| P-579480800 | 95 | Main component | in stock |
| P-901407772 | 98 | Main component | 1.25 g |
| P-1263153648 | 95 | Main component | by synthesis |
| P-854715190 | 95 | Main component | in stock |
| P-580732033 | 99 | Main component as a main component | 1.131 g |
| P-861379891 | 95 | Main component as a main component | by synthesis |
| P-854717041 | 95 | Main component as a main component | in stock |
| P-888171858 | 98 | Main component as a main component | by synthesis |
| P-579712164 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 625.115 |
| logP | 1.2803 |
| H-bond acceptors | 15 |
| H-bond donors | 8 |
| Rotatable bonds | 10 |
| PSA | 235.91 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 177.9484 |
| Atoms | 84 |
| Rings | 2 |
| Heavy atoms | 43 |
| Hydrogen atoms | 41 |
| Heteroatoms | 16 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
