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MCULE-7820091314-1
Structure
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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 | 52 USD | 95 | 37 working days | Get Quote |
| 5 mg | 116 USD | 95 | 37 working days | Get Quote |
| 10 mg | 208 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-7820091314-1.sdf |
| SMILES | MCULE-7820091314-1.smiles |
| Standard InChI | MCULE-7820091314-1.inchi |
| InChIKey | MCULE-7820091314-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-874630832 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-896027840 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-873243706 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854713776 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-869116311 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888631899 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 312.423 |
| logP | 1.98258 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 188.54 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 83.3472 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| 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 | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
