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MCULE-9518004158
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.
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|---|---|---|---|---|
| 1 mg | 214 USD | 95 | 14 working days | Get Quote |
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MCULE-8510501653
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9518004158.sdf |
| SMILES | MCULE-9518004158.smiles |
| Standard InChI | MCULE-9518004158.inchi |
| InChIKey | MCULE-9518004158.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489147999 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580411097 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-888624019 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-500374961 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 313.778 |
| logP | 2.3384 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 85.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.0673 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
