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MCULE-3412849794-0
Structure
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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 | 60 USD | 95 | 14 working days | Get Quote |
| 5 mg | 79 USD | 98 | 16 working days | Get Quote |
| 10 mg | 128 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3412849794-0.sdf |
| SMILES | MCULE-3412849794-0.smiles |
| Standard InChI | MCULE-3412849794-0.inchi |
| InChIKey | MCULE-3412849794-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500415212 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-881630225 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-861476991 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-505626811 | Endotherm | Endotherm General Catalog | 95 | As is | in stock |
| P-896626731 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854691449 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584616552 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608273507 | Molnova | Stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 400.636 |
| logP | 6.7339 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 40.46 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 126.2406 |
| Atoms | 73 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 44 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
