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UNKNOWN STEREO
MCULE-5072455059
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 | 119 USD | 98 | 22 working days | Get Quote |
| 5 mg | 119 USD | 98 | 22 working days | Get Quote |
| 10 mg | 119 USD | 98 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-4506846873
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5072455059.sdf |
| SMILES | MCULE-5072455059.smiles |
| Standard InChI | MCULE-5072455059.inchi |
| InChIKey | MCULE-5072455059.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867615159 | 98 | As is | in stock |
| P-875775924 | N/A | As is | in stock |
| P-579760078 | 95 | As is | in stock |
| P-851391451 | N/A | As is | by synthesis |
| P-864125875 | 96 | As is | in stock |
| P-893223947 | 95 | As is | in stock |
| P-505621085 | 98 | As is | in stock |
| P-855352651 | 90 | As is | in stock |
| P-901264442 | N/A | Main component | in stock |
| P-869273157 | 95 | Main component | in stock |
| P-851641148 | N/A | Main component | by synthesis |
| P-864220218 | 96 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 317.807 |
| logP | 4.0896 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 94.2185 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
