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MCULE-3612695661
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 | 39 USD | 95 | 37 working days | Get Quote |
| 5 mg | 68 USD | 95 | 37 working days | Get Quote |
| 10 mg | 122 USD | 95 | 37 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3612695661.sdf |
| SMILES | MCULE-3612695661.smiles |
| Standard InChI | MCULE-3612695661.inchi |
| InChIKey | MCULE-3612695661.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851250536 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887187875 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852523543 | Matrix Scientific | All | N/A | As is | in stock |
| P-854717026 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584623232 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-881619048 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-869404737 | AstaTech | Backordered BBs | 98 | As an isomer | by synthesis |
| P-873249513 | Key Organics | Building Blocks | 97 | As an isomer | 5 mg |
| P-888635195 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869120391 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-868532583 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 495.296 |
| logP | 5.7484 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 92.43 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 122.5725 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
