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MCULE-9454432749
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.
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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 | 79 USD | 90 | 22 working days | Get Quote |
| 5 mg | 114 USD | 90 | 22 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-5976409227
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9454432749.sdf |
| SMILES | MCULE-9454432749.smiles |
| Standard InChI | MCULE-9454432749.inchi |
| InChIKey | MCULE-9454432749.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893030695 | N/A | As is | by synthesis |
| P-427979849 | 90 | As a main component | 20 mg |
| P-675338346 | 90 | As a main component | in stock |
| P-18872266 | 90 | As a main component | in stock |
| P-896150615 | 90 | As a main component | 12 mg |
| P-907296255 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.806 |
| logP | 1.593 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 35.94 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 89.0698 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
