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MCULE-5411852685
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 | 78 USD | 98 | 22 working days | Get Quote |
| 5 mg | 78 USD | 98 | 22 working days | Get Quote |
| 10 mg | 78 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5411852685.sdf |
| SMILES | MCULE-5411852685.smiles |
| Standard InChI | MCULE-5411852685.inchi |
| InChIKey | MCULE-5411852685.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872826134 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-874644771 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-851723140 | AmBeed | On request | N/A | As is | by synthesis |
| P-889808342 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580429822 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861923668 | FluoroChem | General BB | 98 | As is | in stock |
| P-887437764 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-588710160 | Key Organics | Building Blocks | 97 | As is | unavailable |
| P-856017920 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-500377654 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-502410160 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-590426183 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 265.154 |
| logP | 4.26098 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 23.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.093 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 5 |
| Heteroatoms | 7 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
