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UNKNOWN STEREO
MCULE-3188070106
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 | 37 USD | N/A | 22 working days | Get Quote |
| 5 mg | 37 USD | N/A | 22 working days | Get Quote |
| 10 mg | 37 USD | N/A | 22 working days | Get Quote |
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1
MCULE-2740449091
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3188070106.sdf |
| SMILES | MCULE-3188070106.smiles |
| Standard InChI | MCULE-3188070106.inchi |
| InChIKey | MCULE-3188070106.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867609534 | N/A | As is | in stock |
| P-875768886 | 98 | As is | in stock |
| P-1264940316 | N/A | As is | by synthesis |
| P-596962055 | 98 | As is | 2.95 g |
| P-896024305 | 95 | As is | in stock |
| P-893219297 | 95 | As is | in stock |
| P-893234851 | 95 | As is | in stock |
| P-524442792 | 97 | As is | unavailable |
| P-854637413 | 98 | As is | in stock |
| P-1266073352 | 98 | Main component | in stock |
| P-901263238 | 98 | Main component | in stock |
| P-1264911275 | N/A | Main component | by synthesis |
| P-864319052 | 95 | Main component | by synthesis |
| P-901461662 | 95 | Main component | by synthesis |
| P-893259218 | 95 | Main component | by synthesis |
| P-611393630 | 90 | Main component | in stock |
| P-1271502661 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 441.893 |
| logP | 3.5565 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 70.95 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.3063 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
