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MCULE-9402082165-0
Structure
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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 | 116 USD | 98 | 12 working days | Get Quote |
| 5 mg | 116 USD | 98 | 12 working days | Get Quote |
| 10 mg | 116 USD | 98 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9402082165-0.sdf |
| SMILES | MCULE-9402082165-0.smiles |
| Standard InChI | MCULE-9402082165-0.inchi |
| InChIKey | MCULE-9402082165-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867489152 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-872728589 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-873252532 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-596563196 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-885548576 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892305886 | TargetMol | Natural Products | 95 | As is | in stock |
| P-869166766 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888661048 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 718.611 |
| logP | 3.3345 |
| H-bond acceptors | 16 |
| H-bond donors | 9 |
| Rotatable bonds | 14 |
| PSA | 278.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 178.0686 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 52 |
| Hydrogen atoms | 30 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
