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MCULE-4120617112-0
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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 23 USD | 98 | 16 working days | Get Quote |
| 10 mg | 30 USD | 98 | 16 working days | Get Quote |
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MCULE-2552949347-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4120617112-0.sdf |
| SMILES | MCULE-4120617112-0.smiles |
| Standard InChI | MCULE-4120617112-0.inchi |
| InChIKey | MCULE-4120617112-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264051251 | 99 | As is | in stock |
| P-489137159 | 97 | As is | in stock |
| P-870652496 | N/A | As is | in stock |
| P-855984579 | 97 | As is | 100 mg |
| P-608271001 | 98 | As is | in stock |
| P-885542019 | 95 | As is | by synthesis |
| P-1264051252 | 98 | As a main component | in stock |
| P-500418053 | 98 | As a main component | in stock |
| P-608272185 | 98 | As a main component | in stock |
| P-889868634 | 95 | As a main component | by synthesis |
| P-904253356 | 95 | As a main component | unavailable |
| P-869163412 | 95 | As a main component | 23 mg |
| P-888658772 | 95 | As a main component | 13 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 670.840 |
| logP | 4.9033 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 16 |
| PSA | 166.75 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 192.8668 |
| Atoms | 99 |
| Rings | 5 |
| Heavy atoms | 49 |
| Hydrogen atoms | 50 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
