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MCULE-2545521538
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 | 100 USD | 95 | 14 working days | Get Quote |
| 5 mg | 100 USD | 95 | 14 working days | Get Quote |
| 10 mg | 111 USD | 98 | 8 working days | Get Quote |
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MCULE-7711668386
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2545521538.sdf |
| SMILES | MCULE-2545521538.smiles |
| Standard InChI | MCULE-2545521538.inchi |
| InChIKey | MCULE-2545521538.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893584217 | 90 | As is | 3.941 g |
| P-489151786 | 97 | As is | in stock |
| P-873437906 | 98 | As is | 400 mg |
| P-871212426 | 95 | As is | by synthesis |
| P-861380093 | 95 | As is | by synthesis |
| P-608497088 | 95 | As is | in stock |
| P-896628184 | 95 | As is | by synthesis |
| P-854717657 | 95 | As is | in stock |
| P-906838730 | 98 | As is | by synthesis |
| P-899990323 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.336 |
| logP | -1.3399 |
| H-bond acceptors | 11 |
| H-bond donors | 7 |
| Rotatable bonds | 9 |
| PSA | 187.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 80.3839 |
| Atoms | 46 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
