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MCULE-2282817949
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 | 43 USD | 95 | 11 working days | Get Quote |
| 5 mg | 43 USD | 95 | 11 working days | Get Quote |
| 10 mg | 43 USD | 95 | 11 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-2282817949.sdf |
| SMILES | MCULE-2282817949.smiles |
| Standard InChI | MCULE-2282817949.inchi |
| InChIKey | MCULE-2282817949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-608391797 | 98 | As is | 6.7 g |
| P-868606612 | 95 | As is | in stock |
| P-896072929 | 95 | As is | in stock |
| P-886559385 | 95 | As an isomer | in stock |
| P-590373610 | 95 | As an isomer | in stock |
| P-893467021 | 90 | As an isomer | 43.432 g |
| P-606875776 | N/A | As an isomer | in stock |
| P-895924817 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864191842 | 95 | As an isomer | in stock |
| P-596577242 | 95 | As an isomer | 1000 mg |
| P-862532745 | N/A | As an isomer | 3 g |
| P-888899154 | N/A | As an isomer | in stock |
| P-855346169 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 974.542 |
| logP | 9.6482 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 56.3 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 202.6294 |
| Atoms | 78 |
| Rings | 9 |
| Heavy atoms | 68 |
| Hydrogen atoms | 10 |
| Heteroatoms | 24 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 20 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 8 |
| Cis/trans stereo double bonds | 8 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
