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MCULE-8054198749
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 | 166 USD | 95 | 14 working days | Get Quote |
| 5 mg | 166 USD | 95 | 14 working days | Get Quote |
| 10 mg | 250 USD | 95 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-9642029370
- Component type: Main
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MCULE-4366806420
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8054198749.sdf |
| SMILES | MCULE-8054198749.smiles |
| Standard InChI | MCULE-8054198749.inchi |
| InChIKey | MCULE-8054198749.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590784640 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-854721465 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-590984025 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| P-854720417 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-854713530 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 473.647 |
| logP | 4.3788 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 13 |
| PSA | 98.74 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 137.3682 |
| Atoms | 77 |
| Rings | 1 |
| Heavy atoms | 34 |
| Hydrogen atoms | 43 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
