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MCULE-1789706840
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.
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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 | 33 USD | 95 | 14 working days | Get Quote |
| 5 mg | 33 USD | 95 | 14 working days | Get Quote |
| 10 mg | 37 USD | 95 | 27 working days | Get Quote |
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MCULE-7753429547
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1789706840.sdf |
| SMILES | MCULE-1789706840.smiles |
| Standard InChI | MCULE-1789706840.inchi |
| InChIKey | MCULE-1789706840.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500414323 | AvaChem Scientific | All products | 95 | As is | by synthesis |
| P-861434497 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854712036 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-854717614 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-888172440 | Molnova | On demand | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 584.678 |
| logP | 1.9087 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 304.48 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 142.4227 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 20 |
| Heteroatoms | 17 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
