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MCULE-9988947217-0
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 | 199 USD | N/A | 14 working days | Get Quote |
| 5 mg | 199 USD | N/A | 14 working days | Get Quote |
| 10 mg | 199 USD | N/A | 14 working days | Get Quote |
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1
MCULE-3125396229-0
- Component type: Main
-
1
MCULE-2199051150-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9988947217-0.sdf |
| SMILES | MCULE-9988947217-0.smiles |
| Standard InChI | MCULE-9988947217-0.inchi |
| InChIKey | MCULE-9988947217-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892950626 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-893590997 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 55 g |
| P-888308280 | AmBeed | In stock | N/A | Main component | in stock |
| P-895102411 | Angene | Building Blocks in stock | 90 | Main component | 5 g |
| P-896039354 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-855027607 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893170437 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 256.381 |
| logP | 3.9326 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.3186 |
| Atoms | 46 |
| Rings | 0 |
| Heavy atoms | 18 |
| Hydrogen atoms | 28 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
