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MCULE-4222524451
Compound
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- InChIKey:
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- InChI:
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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 | 65 USD | 90 | 10 working days | Get Quote |
| 5 mg | 81 USD | 90 | 10 working days | Get Quote |
| 10 mg | 111 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4222524451.sdf |
| SMILES | MCULE-4222524451.smiles |
| Standard InChI | MCULE-4222524451.inchi |
| InChIKey | MCULE-4222524451.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852130735 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-851865957 | AmBeed | On request | N/A | As is | by synthesis |
| P-454398135 | Key Organics | Building Blocks | 90 | As is | 103 mg |
| P-18783332 | Key Organics | Screening Compounds and Fragments | 90 | As is | 103 mg |
| P-855334086 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.283 |
| logP | 4.1368 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 79.96 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.484 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
