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MCULE-6712473251
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 | 295 USD | 97 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6712473251.sdf |
| SMILES | MCULE-6712473251.smiles |
| Standard InChI | MCULE-6712473251.inchi |
| InChIKey | MCULE-6712473251.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-608220095 | Glentham Life Sciences | Compounds maintained in stock | 97 | As is | in stock |
| P-873246870 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-873246872 | Key Organics | Building Blocks | 97 | As is | 1 mg |
| P-873246863 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-889879680 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 416.635 |
| logP | 5.7047 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 60.69 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 127.4024 |
| Atoms | 74 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 44 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
