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MCULE-4837195592-0
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 | 146 USD | 100 | 8 working days | Get Quote |
| 5 mg | 146 USD | 100 | 8 working days | Get Quote |
| 10 mg | 146 USD | 100 | 8 working days | Get Quote |
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MCULE-8914258875-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4837195592-0.sdf |
| SMILES | MCULE-4837195592-0.smiles |
| Standard InChI | MCULE-4837195592-0.inchi |
| InChIKey | MCULE-4837195592-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867302214 | 98 | As a main component | by synthesis |
| P-874655240 | 95 | As a main component | in stock |
| P-505394584 | 95 | As a main component | in stock |
| P-905010385 | N/A | As a main component | by synthesis |
| P-1263076013 | 100 | As a main component | in stock |
| P-896540452 | 99 | As a main component | in stock |
| P-893270120 | 95 | As a main component | by synthesis |
| P-875885508 | 95 | As a main component | by synthesis |
| P-524166719 | 95 | As a main component | 100 mg |
| P-25757707 | 90 | As a main component | 57 mg |
| P-869133761 | 95 | As a main component | by synthesis |
| P-888643673 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.891 |
| logP | 4.1984 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 77.84 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.4816 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
