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MCULE-9418182961
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.
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|---|---|---|---|---|
| 1 mg | 40 USD | N/A | 9 working days | Get Quote |
| 5 mg | 40 USD | N/A | 9 working days | Get Quote |
| 10 mg | 40 USD | N/A | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-6677978775
- Component type: Main
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MCULE-7297321548
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9418182961.sdf |
| SMILES | MCULE-9418182961.smiles |
| Standard InChI | MCULE-9418182961.inchi |
| InChIKey | MCULE-9418182961.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895692493 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855229110 | Toronto Research | In stock | 90 | As is | in stock |
| P-867670465 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875844439 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-892442323 | Asinex | General screening catalog | 90 | As a main component | 27 mg |
| P-674228509 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 5 mg |
| P-861377908 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-34793897 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
| P-855951900 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
| P-893664014 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.336 |
| logP | 2.2278 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 48.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.9987 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
