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UNKNOWN STEREO
MCULE-5307502173-1
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.
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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 | 99 | 20 working days | Get Quote |
| 5 mg | 11 USD | 99 | 20 working days | Get Quote |
| 10 mg | 11 USD | 99 | 20 working days | Get Quote |
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MCULE-4152259267-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5307502173-1.sdf |
| SMILES | MCULE-5307502173-1.smiles |
| Standard InChI | MCULE-5307502173-1.inchi |
| InChIKey | MCULE-5307502173-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869184413 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505389080 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505389655 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-596972986 | Angene | Building Blocks in stock | 99 | As a main component | 784.698 g |
| P-580195945 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864085770 | AstaTech | In Stock BBs | 99 | As a main component | in stock |
| P-881038217 | AstaTech | In Stock BBs | 99 | As a main component | in stock |
| P-524442703 | Key Organics | Biochemicals | 97 | As a main component | 484 mg |
| P-622447266 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
| P-888627203 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869108167 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-855294066 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-666970114 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 454.462 |
| logP | -1.0472 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 229.88 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 107.9546 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 16 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| 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 |
