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UNKNOWN STEREO
MCULE-1980201542
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 | 23 USD | 99 | 19 working days | Get Quote |
| 5 mg | 23 USD | 99 | 19 working days | Get Quote |
| 10 mg | 23 USD | 99 | 19 working days | Get Quote |
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MCULE-6056913054
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1980201542.sdf |
| SMILES | MCULE-1980201542.smiles |
| Standard InChI | MCULE-1980201542.inchi |
| InChIKey | MCULE-1980201542.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852092197 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867678711 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-851494753 | AmBeed | On request | N/A | As is | by synthesis |
| P-875891767 | Angene | Building Blocks in stock | 98 | As is | 50 mg |
| P-864251731 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-500374198 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888639959 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869126625 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855322868 | Toronto Research | In stock | 90 | As is | in stock |
| P-852080640 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-505389548 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505348339 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-864161049 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-505494870 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-524440341 | Key Organics | Biochemicals | 97 | As a main component | 484 mg |
| P-500372249 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
| P-854956887 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855010269 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855010266 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855010268 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-868506316 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.465 |
| logP | 4.6281 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 82.69 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.4294 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
