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UNKNOWN STEREO
MCULE-3411041167
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.
|
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 14 working days | Get Quote |
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1
MCULE-6076084137
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3411041167.sdf |
| SMILES | MCULE-3411041167.smiles |
| Standard InChI | MCULE-3411041167.inchi |
| InChIKey | MCULE-3411041167.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-606833881 | AmBeed | In stock | N/A | As is | in stock |
| P-596962483 | Angene | Building Blocks in stock | 98 | As is | 10 g |
| P-864211765 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
| P-865930608 | Angene | Building Blocks in stock | 97 | Main component | 100 g |
| P-889589872 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-524442983 | Key Organics | Biochemicals | 97 | Main component | 230 mg |
| P-888633670 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869118618 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-611430096 | Toronto Research | In stock | 90 | Main component | in stock |
| P-611497237 | Toronto Research | In stock | 90 | Main component | in stock |
| P-868505110 | eNovation Chemicals LLC | Building Blocks in stock | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 628.642 |
| logP | -0.7607 |
| H-bond acceptors | 13 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 310.14 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 138.5381 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 18 |
| Heteroatoms | 19 |
| N/O atoms | 13 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
