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MCULE-4754074359-0
Structure
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- InChIKey:
- SMILES:
- 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 | 45 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 90 | 21 working days | Get Quote |
| 10 mg | 86 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4754074359-0.sdf |
| SMILES | MCULE-4754074359-0.smiles |
| Standard InChI | MCULE-4754074359-0.inchi |
| InChIKey | MCULE-4754074359-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893391738 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-851415729 | AmBeed | On request | N/A | As is | by synthesis |
| P-590738163 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-563666020 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-895429707 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12461806 | Otava | In-House Stock Library | 90 | As is | 1.073 g |
| P-492277246 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.073 g |
| P-491405696 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.220 |
| logP | 0.63458 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 64.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.5948 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
