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UNKNOWN STEREO
MCULE-2646784584
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 | 11 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 20 working days | Get Quote |
| 10 mg | 37 USD | N/A | 9 working days | Get Quote |
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MCULE-2931084460
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2646784584.sdf |
| SMILES | MCULE-2646784584.smiles |
| Standard InChI | MCULE-2646784584.inchi |
| InChIKey | MCULE-2646784584.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-606924601 | AmBeed | In stock | N/A | As is | in stock |
| P-865927454 | Angene | Building Blocks in stock | N/A | As is | 5 g |
| P-864147912 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-500390315 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-608157026 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
| P-892235148 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869176111 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892292434 | TargetMol | In Stock BB | 95 | As is | 874 mg |
| P-892326203 | TargetMol | Screening Compounds - stock amount | 95 | As is | 874 mg |
| P-611369700 | Toronto Research | In stock | 90 | As is | in stock |
| P-889796615 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 718.611 |
| logP | 3.3345 |
| H-bond acceptors | 16 |
| H-bond donors | 9 |
| Rotatable bonds | 14 |
| PSA | 278.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 178.0686 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 52 |
| Hydrogen atoms | 30 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
