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MCULE-3956955466-0
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 | 78 USD | N/A | 35 working days | Get Quote |
| 5 mg | 78 USD | N/A | 35 working days | Get Quote |
| 10 mg | 78 USD | N/A | 35 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3956955466-0.sdf |
| SMILES | MCULE-3956955466-0.smiles |
| Standard InChI | MCULE-3956955466-0.inchi |
| InChIKey | MCULE-3956955466-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590413247 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851467856 | AmBeed | On request | N/A | As is | by synthesis |
| P-895094795 | Angene | Building Blocks in stock | 98 | As is | unavailable |
| P-864176243 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-580443255 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-855988292 | Key Organics | Building Blocks | 97 | As is | in stock |
| P-31257654 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-885535052 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611546818 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.277 |
| logP | 3.563 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 40.85 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.062 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
