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MCULE-3076600816
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 | 191 USD | 97 | 14 working days | Get Quote |
| 5 mg | 191 USD | 97 | 14 working days | Get Quote |
| 10 mg | 466 USD | 95 | 14 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-3076600816.sdf |
| SMILES | MCULE-3076600816.smiles |
| Standard InChI | MCULE-3076600816.inchi |
| InChIKey | MCULE-3076600816.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903172533 | 97 | As is | 25 mg |
| P-489240359 | 97 | As is | in stock |
| P-868957468 | 97 | As is | by synthesis |
| P-851250328 | 95 | As is | by synthesis |
| P-861520235 | 95 | As is | by synthesis |
| P-852523443 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 557.638 |
| logP | 3.1347 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 19 |
| PSA | 175.71 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 150.6815 |
| Atoms | 79 |
| Rings | 2 |
| Heavy atoms | 40 |
| Hydrogen atoms | 39 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
