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MCULE-4984006865
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.
|
|
|---|---|---|---|---|
| 1 mg | 21 USD | 90 | 16 working days | Get Quote |
| 5 mg | 21 USD | 90 | 16 working days | Get Quote |
| 10 mg | 21 USD | 90 | 16 working days | Get Quote |
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MCULE-4198621793
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4984006865.sdf |
| SMILES | MCULE-4984006865.smiles |
| Standard InChI | MCULE-4984006865.inchi |
| InChIKey | MCULE-4984006865.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-868604745 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-868603382 | Combi-Blocks | Building Block in stock | 90 | As a main component | in stock |
| P-886646239 | A2B Chem | Predominantly Building Block in stock | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 562.657 |
| logP | 4.0406 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 130.9 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 176.843 |
| Atoms | 76 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 34 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 8 |
| Cis/trans stereo double bonds | 8 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
