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MCULE-5589813858
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 | 142 USD | 90 | 18 working days | Get Quote |
| 5 mg | 169 USD | 90 | 18 working days | Get Quote |
| 10 mg | 183 USD | 95 | 38 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5589813858.sdf |
| SMILES | MCULE-5589813858.smiles |
| Standard InChI | MCULE-5589813858.inchi |
| InChIKey | MCULE-5589813858.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867426957 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-862112703 | FluoroChem | General BB | 95 | As is | in stock |
| P-467941938 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-601055736 | Life Chemicals | Screening Compounds | 90 | As is | 10 mg |
| P-852509520 | Matrix Scientific | All | N/A | As is | in stock |
| P-895260733 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611598093 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.251 |
| logP | 2.5569 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 78.43 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.3523 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
