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MCULE-5416172607-0
Structure
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- InChIKey:
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- InChI:
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| 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 | 187 USD | N/A | 35 working days | Get Quote |
| 5 mg | 187 USD | N/A | 35 working days | Get Quote |
| 10 mg | 187 USD | N/A | 35 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5416172607-0.sdf |
| SMILES | MCULE-5416172607-0.smiles |
| Standard InChI | MCULE-5416172607-0.inchi |
| InChIKey | MCULE-5416172607-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-674991072 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-615730288 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851547052 | AmBeed | On request | N/A | As is | by synthesis |
| P-575334266 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
| P-454333011 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-621314647 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-896073203 | Specs | Repurposed Compounds | N/A | As is | 2.547 g |
| P-23115434 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-502363482 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.333 |
| logP | 3.9083 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.1985 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
