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UNKNOWN STEREO
MCULE-4520566918
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 | 10 USD | 99 | 20 working days | Get Quote |
| 5 mg | 10 USD | 99 | 20 working days | Get Quote |
| 10 mg | 10 USD | 99 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-7004468628
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4520566918.sdf |
| SMILES | MCULE-4520566918.smiles |
| Standard InChI | MCULE-4520566918.inchi |
| InChIKey | MCULE-4520566918.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604193 | 98 | As a main component | in stock |
| P-875762135 | N/A | As a main component | in stock |
| P-869181423 | 95 | As a main component | in stock |
| P-505354650 | 98 | As a main component | in stock |
| P-596960024 | 99 | As a main component | 25 g |
| P-864090511 | 97 | As a main component | in stock |
| P-893238816 | 95 | As a main component | in stock |
| P-505492239 | 95 | As a main component | in stock |
| P-488555515 | 92 | As a main component | in stock |
| P-500397659 | 98 | As a main component | by synthesis |
| P-611405169 | 90 | As a main component | in stock |
| P-666968063 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 557.826 |
| logP | 5.8626 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 55.84 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 169.597 |
| Atoms | 97 |
| Rings | 6 |
| Heavy atoms | 40 |
| Hydrogen atoms | 57 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
