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UNKNOWN STEREO
MCULE-1746500085
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 | 13 USD | 95 | 20 working days | Get Quote |
| 5 mg | 13 USD | 95 | 20 working days | Get Quote |
| 10 mg | 13 USD | 95 | 20 working days | Get Quote |
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MCULE-3239283229
- Component type: Main
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MCULE-7987802349
- Component type: Main
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MCULE-9879025092
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1746500085.sdf |
| SMILES | MCULE-1746500085.smiles |
| Standard InChI | MCULE-1746500085.inchi |
| InChIKey | MCULE-1746500085.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892865220 | N/A | As is | in stock |
| P-890159862 | N/A | As is | in stock |
| P-505351468 | 95 | As is | by resynthesis (? - ? days) |
| P-851678195 | N/A | As is | by synthesis |
| P-895101394 | N/A | As is | 200 mg |
| P-864263935 | 97 | As is | by synthesis |
| P-869163859 | 95 | As is | 128 mg |
| P-892299982 | 95 | As is | 1.128 g |
| P-888659151 | 95 | As is | 1.128 g |
| P-1271626494 | 100 | As is | in stock |
| P-892925457 | N/A | As a main component | by synthesis |
| P-875742201 | 95 | As a main component | in stock |
| P-901244544 | N/A | As a main component | by synthesis |
| P-616209869 | 97 | As a main component | by resynthesis (? - ? days) |
| P-616223061 | 98 | As a main component | by resynthesis (? - ? days) |
| P-851937835 | N/A | As a main component | in stock |
| P-619149640 | 95 | As a main component | 25 g |
| P-864098370 | 98 | As a main component | in stock |
| P-864098472 | 98 | As a main component | in stock |
| P-893242516 | 95 | As a main component | in stock |
| P-893242560 | 95 | As a main component | in stock |
| P-675216891 | 95 | As a main component | in stock |
| P-675216892 | 95 | As a main component | in stock |
| P-855104907 | 90 | As a main component | in stock |
| P-855313354 | 90 | As a main component | in stock |
| P-1279229821 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 403.177 |
| logP | -1.7478 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 6 |
| PSA | 243.51 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 77.6684 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 15 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
