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UNKNOWN STEREO
MCULE-9711164583-0
Structure
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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 | 19 USD | 97 | 20 working days | Get Quote |
| 5 mg | 19 USD | 97 | 20 working days | Get Quote |
| 10 mg | 19 USD | 97 | 20 working days | Get Quote |
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MCULE-4015985299-0
- Component type: Unknown
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MCULE-4969260110-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9711164583-0.sdf |
| SMILES | MCULE-9711164583-0.smiles |
| Standard InChI | MCULE-9711164583-0.inchi |
| InChIKey | MCULE-9711164583-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867657520 | A2B Chem | Predominantly Building Block in stock | 97 | As a main component | in stock |
| P-590373696 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-606876092 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596971487 | Angene | Building Blocks in stock | 97 | As a main component | 175 g |
| P-864158268 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-893236764 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-892259359 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892341641 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| P-855346765 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-500372253 | Pi Chemicals | Virtual Compounds | 98 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 480.531 |
| logP | 2.1478 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 152.13 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 121.4561 |
| Atoms | 60 |
| Rings | 2 |
| Heavy atoms | 33 |
| Hydrogen atoms | 27 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
