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MCULE-4856844217
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 | 42 USD | 95 | 11 working days | Get Quote |
| 5 mg | 70 USD | 95 | 11 working days | Get Quote |
| 10 mg | 119 USD | 95 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4856844217.sdf |
| SMILES | MCULE-4856844217.smiles |
| Standard InChI | MCULE-4856844217.inchi |
| InChIKey | MCULE-4856844217.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867645430 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-874631765 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-887309737 | AmBeed | In stock | N/A | As is | in stock |
| P-888820238 | Angene | Building Blocks in stock | 98 | As is | 250 mg |
| P-889563062 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-873247876 | Key Organics | Building Blocks | 97 | As is | 1 mg |
| P-888656890 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-594274471 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868517928 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 445.531 |
| logP | 4.8135 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 73.05 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 136.5401 |
| Atoms | 61 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 28 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
