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MCULE-4883998898-0
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 | 104 USD | 95 | 24 working days | Get Quote |
| 5 mg | 229 USD | 95 | 24 working days | Get Quote |
| 10 mg | 448 USD | 95 | 14 working days | Get Quote |
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1
MCULE-9042160755-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4883998898-0.sdf |
| SMILES | MCULE-4883998898-0.smiles |
| Standard InChI | MCULE-4883998898-0.inchi |
| InChIKey | MCULE-4883998898-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489133338 | 97 | As is | in stock |
| P-1263697156 | 95 | As is | by synthesis |
| P-907565215 | 95 | Main component | by synthesis |
| P-905144202 | 95 | Main component | in stock |
| P-851305728 | 95 | Main component as a main component | by synthesis |
| P-888170851 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 458.811 |
| logP | 6.3753 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 93.68 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 123.8098 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 26 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
