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MCULE-2345757677
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.
|
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 | 42 USD | 98 | 19 working days | Get Quote |
| 5 mg | 42 USD | 98 | 19 working days | Get Quote |
| 10 mg | 116 USD | 98 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2345757677.sdf |
| SMILES | MCULE-2345757677.smiles |
| Standard InChI | MCULE-2345757677.inchi |
| InChIKey | MCULE-2345757677.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505576504 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-861430985 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-505388582 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-500396061 | Pi Chemicals | Virtual Compounds | 98 | As an isomer | by synthesis |
| P-611429147 | Toronto Research | In stock | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 422.865 |
| logP | 6.6624 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 26.3 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 108.497 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
